 Entering Gaussian System, Link 0=g16
 Input=12_L-valine_conformer01_STD_B3LYPDBJ_augccpVDZ.in
 Output=12_L-valine_conformer01_STD_B3LYPDBJ_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/Gau-14447.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     14468.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=12_L-valine_conformer01_STD_B3LYPDBJ_augccpVDZ
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 19:39:39 2021, MaxMem=  5368709120 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "12_L-valine_conformer01_STD_B3LYPDBJ_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.402321000000     -0.324803000000     -0.691175000000
  C                                                 1.066507000000     -0.567672000000      0.007328000000
  C                                                -0.024429000000      0.362752000000     -0.585977000000
  C                                                -1.397283000000     -0.077948000000     -0.093492000000
  O                                                -1.783162000000     -1.252166000000     -0.644037000000
  C                                                 1.193771000000     -0.401333000000      1.521948000000
  N                                                 0.250162000000      1.761590000000     -0.305646000000
  O                                                -2.076243000000      0.515013000000      0.704731000000
  H                                                -0.013738000000      0.217520000000     -1.668707000000
  H                                                 0.746938000000     -1.591919000000     -0.201878000000
  H                                                -2.645686000000     -1.478069000000     -0.261271000000
  H                                                -0.282255000000      2.356926000000     -0.927888000000
  H                                                -0.057810000000      1.989245000000      0.633366000000
  H                                                 1.549661000000      0.599343000000      1.774413000000
  H                                                 0.244241000000     -0.564166000000      2.035583000000
  H                                                 1.915182000000     -1.116450000000      1.920072000000
  H                                                 2.328990000000     -0.520041000000     -1.763324000000
  H                                                 2.720648000000      0.708970000000     -0.556172000000
  H                                                 3.172613000000     -0.981246000000     -0.282025000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          14          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  14.0030740  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           2           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   4.5500000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   7.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 19:39:39 2021, MaxMem=  5368709120 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.402321   -0.324803   -0.691175
      2          6           0        1.066507   -0.567672    0.007328
      3          6           0       -0.024429    0.362752   -0.585977
      4          6           0       -1.397283   -0.077948   -0.093492
      5          8           0       -1.783162   -1.252166   -0.644037
      6          6           0        1.193771   -0.401333    1.521948
      7          7           0        0.250162    1.761590   -0.305646
      8          8           0       -2.076243    0.515013    0.704731
      9          1           0       -0.013738    0.217520   -1.668707
     10          1           0        0.746938   -1.591919   -0.201878
     11          1           0       -2.645686   -1.478069   -0.261271
     12          1           0       -0.282255    2.356926   -0.927888
     13          1           0       -0.057810    1.989245    0.633366
     14          1           0        1.549661    0.599343    1.774413
     15          1           0        0.244241   -0.564166    2.035583
     16          1           0        1.915182   -1.116450    1.920072
     17          1           0        2.328990   -0.520041   -1.763324
     18          1           0        2.720648    0.708970   -0.556172
     19          1           0        3.172613   -0.981246   -0.282025
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.526857   0.000000
     3  C    2.524463   1.551722   0.000000
     4  C    3.854238   2.514012   1.523642   0.000000
     5  O    4.287248   3.002236   2.388404   1.353067   0.000000
     6  C    2.522769   1.529032   2.551702   3.070470   3.778563
     7  N    3.022161   2.487938   1.452836   2.478504   3.651252
     8  O    4.765646   3.396389   2.428796   1.204055   2.242319
     9  H    2.662147   2.143023   1.092479   2.117262   2.518092
    10  H    2.141328   1.093148   2.136183   2.627078   2.590819
    11  H    5.195884   3.831624   3.219479   1.883348   0.970304
    12  H    3.801927   3.353664   2.039634   2.805016   3.919035
    13  H    3.627874   2.862488   2.033074   2.568228   3.887846
    14  H    2.767706   2.172085   2.846959   3.554191   4.514941
    15  H    3.485658   2.188596   2.793553   2.732027   3.429879
    16  H    2.771754   2.163330   3.497200   4.013147   4.502313
    17  H    1.092245   2.175164   2.775617   4.107176   4.324188
    18  H    1.090066   2.164146   2.766984   4.217899   4.913052
    19  H    1.091637   2.165745   3.481350   4.662128   4.976360
                    6          7          8          9         10
     6  C    0.000000
     7  N    2.984750   0.000000
     8  O    3.492925   2.826124   0.000000
     9  H    3.467180   2.076471   3.158423   0.000000
    10  H    2.142132   3.391692   3.637506   2.450364   0.000000
    11  H    4.368142   4.345491   2.286876   3.432645   3.395053
    12  H    3.973455   1.012461   3.045732   2.279906   4.144841
    13  H    2.840932   1.014109   2.500505   2.905252   3.764304
    14  H    1.091672   2.714067   3.781337   3.800668   3.058058
    15  H    1.091761   3.300080   2.884517   3.794648   2.513009
    16  H    1.091022   4.001153   4.479978   4.287137   2.468509
    17  H    3.477905   3.413531   5.154484   2.457910   2.467777
    18  H    2.807616   2.697049   4.963634   2.992678   3.052072
    19  H    2.739787   4.008045   5.546437   3.675971   2.502647
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.553830   0.000000
    13  H    4.418115   1.619592   0.000000
    14  H    5.104957   3.707755   2.412007   0.000000
    15  H    3.802951   4.194298   2.928712   1.768074   0.000000
    16  H    5.068584   5.000395   3.897903   1.760332   1.763634
    17  H    5.284069   3.974103   4.211586   3.791564   4.333569
    18  H    5.802383   3.445484   3.282367   2.610528   3.804032
    19  H    5.839509   4.847334   4.483011   3.059603   3.757742
                   16         17         18         19
    16  H    0.000000
    17  H    3.754244   0.000000
    18  H    3.180050   1.766658   0.000000
    19  H    2.539418   1.765972   1.770949   0.000000
 Stoichiometry    C5H11NO2
 Framework group  C1[X(C5H11NO2)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.40D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.402321   -0.324803   -0.691175
      2          6           0        1.066507   -0.567672    0.007328
      3          6           0       -0.024429    0.362752   -0.585977
      4          6           0       -1.397283   -0.077948   -0.093492
      5          8           0       -1.783162   -1.252166   -0.644037
      6          6           0        1.193771   -0.401333    1.521948
      7          7           0        0.250162    1.761590   -0.305646
      8          8           0       -2.076243    0.515013    0.704731
      9          1           0       -0.013738    0.217520   -1.668707
     10          1           0        0.746938   -1.591919   -0.201878
     11          1           0       -2.645686   -1.478069   -0.261271
     12          1           0       -0.282255    2.356926   -0.927888
     13          1           0       -0.057810    1.989245    0.633366
     14          1           0        1.549661    0.599343    1.774413
     15          1           0        0.244241   -0.564166    2.035583
     16          1           0        1.915182   -1.116450    1.920072
     17          1           0        2.328990   -0.520041   -1.763324
     18          1           0        2.720648    0.708970   -0.556172
     19          1           0        3.172613   -0.981246   -0.282025
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.9389248           1.4333902           1.3298945
 Leave Link  202 at Thu Aug 12 19:39:40 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      8
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  24 primitive shells out of 312 were deleted.
 There are   299 symmetry adapted cartesian basis functions of A   symmetry.
 There are   283 symmetry adapted basis functions of A   symmetry.
   283 basis functions,   508 primitive gaussians,   299 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       407.8503088607 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0284332383 Hartrees.
 Nuclear repulsion after empirical dispersion term =      407.8218756224 Hartrees.
 Leave Link  301 at Thu Aug 12 19:39:42 2021, MaxMem=  5368709120 cpu:              17.7 elap:               2.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   283 RedAO= T EigKep=  6.79D-06  NBF=   283
 NBsUse=   283 1.00D-06 EigRej= -1.00D+00 NBFU=   283
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   299   299   299   299   299 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Aug 12 19:39:43 2021, MaxMem=  5368709120 cpu:               4.9 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 19:39:44 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "12_L-valine_conformer01_STD_B3LYPDBJ_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 19:39:45 2021, MaxMem=  5368709120 cpu:               4.3 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368524961 LenY=  5368435119
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -402.457795477241    
 DIIS: error= 1.81D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -402.457795477241     IErMin= 1 ErrMin= 1.81D-03
 ErrMax= 1.81D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.96D-03 BMatP= 4.96D-03
 IDIUse=3 WtCom= 9.82D-01 WtEn= 1.81D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.250 Goal=   None    Shift=    0.000
 GapD=    0.250 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.78D-02 MaxDP=1.87D+00              OVMax= 2.11D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.69D-02    CP:  1.21D+00
 E= -402.462414115270     Delta-E=       -0.004618638029 Rises=F Damp=F
 DIIS: error= 3.10D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -402.462414115270     IErMin= 2 ErrMin= 3.10D-04
 ErrMax= 3.10D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.26D-05 BMatP= 4.96D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.10D-03
 Coeff-Com:  0.646D-02 0.994D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.644D-02 0.994D+00
 Gap=     0.241 Goal=   None    Shift=    0.000
 RMSDP=6.51D-04 MaxDP=5.50D-02 DE=-4.62D-03 OVMax= 4.12D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.31D-04    CP:  1.21D+00  1.03D+00
 E= -402.462329426772     Delta-E=        0.000084688498 Rises=F Damp=F
 DIIS: error= 4.88D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -402.462414115270     IErMin= 2 ErrMin= 3.10D-04
 ErrMax= 4.88D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.21D-04 BMatP= 9.26D-05
 IDIUse=3 WtCom= 3.12D-01 WtEn= 6.88D-01
 Coeff-Com: -0.115D-01 0.618D+00 0.394D+00
 Coeff-En:   0.000D+00 0.665D+00 0.335D+00
 Coeff:     -0.358D-02 0.650D+00 0.353D+00
 Gap=     0.241 Goal=   None    Shift=    0.000
 RMSDP=8.21D-05 MaxDP=4.77D-03 DE= 8.47D-05 OVMax= 2.63D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.40D-05    CP:  1.21D+00  1.03D+00  9.30D-01
 E= -402.462488707135     Delta-E=       -0.000159280363 Rises=F Damp=F
 DIIS: error= 4.84D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -402.462488707135     IErMin= 4 ErrMin= 4.84D-05
 ErrMax= 4.84D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.80D-06 BMatP= 9.26D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.585D-02 0.263D+00 0.145D+00 0.599D+00
 Coeff:     -0.585D-02 0.263D+00 0.145D+00 0.599D+00
 Gap=     0.241 Goal=   None    Shift=    0.000
 RMSDP=3.21D-05 MaxDP=2.41D-03 DE=-1.59D-04 OVMax= 6.30D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.83D-05    CP:  1.21D+00  1.04D+00  9.58D-01  1.08D+00
 E= -402.462489963223     Delta-E=       -0.000001256088 Rises=F Damp=F
 DIIS: error= 4.13D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -402.462489963223     IErMin= 5 ErrMin= 4.13D-05
 ErrMax= 4.13D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.42D-06 BMatP= 2.80D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.146D-02 0.333D-01 0.767D-02 0.423D+00 0.537D+00
 Coeff:     -0.146D-02 0.333D-01 0.767D-02 0.423D+00 0.537D+00
 Gap=     0.241 Goal=   None    Shift=    0.000
 RMSDP=1.30D-05 MaxDP=7.79D-04 DE=-1.26D-06 OVMax= 3.35D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  6.60D-06    CP:  1.21D+00  1.04D+00  9.77D-01  1.13D+00  8.49D-01
 E= -402.462490994703     Delta-E=       -0.000001031480 Rises=F Damp=F
 DIIS: error= 6.43D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -402.462490994703     IErMin= 6 ErrMin= 6.43D-06
 ErrMax= 6.43D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.27D-08 BMatP= 1.42D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.434D-03 0.124D-02-0.480D-02 0.192D+00 0.291D+00 0.521D+00
 Coeff:     -0.434D-03 0.124D-02-0.480D-02 0.192D+00 0.291D+00 0.521D+00
 Gap=     0.241 Goal=   None    Shift=    0.000
 RMSDP=2.83D-06 MaxDP=1.36D-04 DE=-1.03D-06 OVMax= 5.03D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.33D-06    CP:  1.21D+00  1.04D+00  9.81D-01  1.14D+00  8.05D-01
                    CP:  9.29D-01
 E= -402.462491048572     Delta-E=       -0.000000053869 Rises=F Damp=F
 DIIS: error= 1.17D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -402.462491048572     IErMin= 7 ErrMin= 1.17D-06
 ErrMax= 1.17D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.33D-09 BMatP= 6.27D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.242D-04-0.311D-02-0.275D-02 0.381D-01 0.667D-01 0.207D+00
 Coeff-Com:  0.694D+00
 Coeff:     -0.242D-04-0.311D-02-0.275D-02 0.381D-01 0.667D-01 0.207D+00
 Coeff:      0.694D+00
 Gap=     0.241 Goal=   None    Shift=    0.000
 RMSDP=9.08D-07 MaxDP=6.59D-05 DE=-5.39D-08 OVMax= 1.20D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  6.24D-07    CP:  1.21D+00  1.04D+00  9.82D-01  1.14D+00  8.19D-01
                    CP:  9.40D-01  8.97D-01
 E= -402.462491050804     Delta-E=       -0.000000002232 Rises=F Damp=F
 DIIS: error= 2.29D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -402.462491050804     IErMin= 8 ErrMin= 2.29D-07
 ErrMax= 2.29D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.71D-11 BMatP= 2.33D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.126D-04-0.857D-03-0.482D-03 0.190D-02 0.458D-02 0.294D-01
 Coeff-Com:  0.201D+00 0.764D+00
 Coeff:      0.126D-04-0.857D-03-0.482D-03 0.190D-02 0.458D-02 0.294D-01
 Coeff:      0.201D+00 0.764D+00
 Gap=     0.241 Goal=   None    Shift=    0.000
 RMSDP=1.92D-07 MaxDP=1.31D-05 DE=-2.23D-09 OVMax= 2.10D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.28D-07    CP:  1.21D+00  1.04D+00  9.82D-01  1.14D+00  8.20D-01
                    CP:  9.49D-01  9.19D-01  9.04D-01
 E= -402.462491050888     Delta-E=       -0.000000000084 Rises=F Damp=F
 DIIS: error= 1.21D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -402.462491050888     IErMin= 9 ErrMin= 1.21D-07
 ErrMax= 1.21D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.28D-11 BMatP= 7.71D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.736D-05-0.235D-03-0.751D-04-0.118D-02-0.152D-02 0.211D-02
 Coeff-Com:  0.565D-01 0.362D+00 0.583D+00
 Coeff:      0.736D-05-0.235D-03-0.751D-04-0.118D-02-0.152D-02 0.211D-02
 Coeff:      0.565D-01 0.362D+00 0.583D+00
 Gap=     0.241 Goal=   None    Shift=    0.000
 RMSDP=5.53D-08 MaxDP=6.09D-06 DE=-8.38D-11 OVMax= 8.01D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.21D-08    CP:  1.21D+00  1.04D+00  9.82D-01  1.14D+00  8.19D-01
                    CP:  9.48D-01  9.23D-01  9.50D-01  7.61D-01
 E= -402.462491050895     Delta-E=       -0.000000000008 Rises=F Damp=F
 DIIS: error= 1.64D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -402.462491050895     IErMin=10 ErrMin= 1.64D-08
 ErrMax= 1.64D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.07D-13 BMatP= 1.28D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.147D-05-0.183D-04 0.138D-04-0.614D-03-0.914D-03-0.140D-02
 Coeff-Com:  0.575D-02 0.726D-01 0.199D+00 0.725D+00
 Coeff:      0.147D-05-0.183D-04 0.138D-04-0.614D-03-0.914D-03-0.140D-02
 Coeff:      0.575D-02 0.726D-01 0.199D+00 0.725D+00
 Gap=     0.241 Goal=   None    Shift=    0.000
 RMSDP=9.81D-09 MaxDP=8.40D-07 DE=-7.62D-12 OVMax= 1.83D-07

 SCF Done:  E(RB3LYP) =  -402.462491051     A.U. after   10 cycles
            NFock= 10  Conv=0.98D-08     -V/T= 2.0061
 KE= 4.000141845657D+02 PE=-1.755056634020D+03 EE= 5.447580827811D+02
 Leave Link  502 at Thu Aug 12 19:41:51 2021, MaxMem=  5368709120 cpu:            1009.3 elap:             126.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   283
 NBasis=   283 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    283 NOA=    32 NOB=    32 NVA=   251 NVB=   251

 **** Warning!!: The largest alpha MO coefficient is  0.66353872D+02

 Leave Link  801 at Thu Aug 12 19:41:52 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5894 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.34D-13 8.33D-09 XBig12= 1.00D+00 2.31D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.34D-13 8.33D-09 XBig12= 2.19D-01 6.40D-02.
     11 vectors produced by pass  2 Test12= 1.34D-13 8.33D-09 XBig12= 3.16D-02 3.49D-02.
     11 vectors produced by pass  3 Test12= 1.34D-13 8.33D-09 XBig12= 2.04D-03 9.14D-03.
     11 vectors produced by pass  4 Test12= 1.34D-13 8.33D-09 XBig12= 7.20D-05 1.92D-03.
     11 vectors produced by pass  5 Test12= 1.34D-13 8.33D-09 XBig12= 1.91D-06 2.63D-04.
     11 vectors produced by pass  6 Test12= 1.34D-13 8.33D-09 XBig12= 4.56D-08 2.97D-05.
     11 vectors produced by pass  7 Test12= 1.34D-13 8.33D-09 XBig12= 5.98D-10 5.77D-06.
      8 vectors produced by pass  8 Test12= 1.34D-13 8.33D-09 XBig12= 3.51D-12 3.62D-07.
      4 vectors produced by pass  9 Test12= 1.34D-13 8.33D-09 XBig12= 2.68D-14 1.83D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.26D-14
 Solved reduced A of dimension   100 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.905764D+02
      2  0.818703D+00  0.791281D+02
      3 -0.279892D+01  0.186671D+01  0.758809D+02
 Isotropic polarizability for W=    0.088559       81.86 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.693493D+02 -0.288561D+02  0.420676D+01
      2  -0.399226D+02  0.265637D+02 -0.121096D+02
      3  -0.294267D+02  0.229243D+01  0.790285D+01
      4  -0.280968D+02  0.365490D+02 -0.171641D+02
      5   0.104120D+02 -0.198936D+02  0.683254D+02
      6  -0.500462D+01 -0.101206D+01 -0.644211D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.206016D+01 -0.164530D-01  0.246475D+00
      2   0.673589D+01 -0.629920D+01  0.344581D+02
      3   0.839512D+01 -0.251526D+02  0.756227D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.272952D+01  0.110975D+02  0.873454D+01
      2  -0.620521D+01 -0.121595D+02  0.977520D+02
      3   0.759273D+00 -0.764716D+02  0.148890D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.508448D-01 -0.106832D+01 -0.973673D+00
      2  -0.106832D+01 -0.288815D+00  0.333696D+00
      3  -0.973673D+00  0.333696D+00 -0.457437D+00
 OR G Eigenvalues:    -1.4892    -0.7121     1.4042  Iso=     0.2657
 Eigenvectors:
   (1)   0.708012   0.488264   0.510213
   (2)  -0.046713  -0.688514   0.723717
   (3)   0.704654  -0.536234  -0.464667
 w=    0.088559 a.u., Optical Rotation Beta=      0.2657 au.
 Molar Mass =    117.1474 grams/mole, [Alpha] ( 5145.0 A) =      115.01 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   40186 ScalPx= 1.34D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 8.75D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.23D-14 2.78D-09 XBig12= 1.00D+00 5.14D-01.
     30 vectors produced by pass  1 Test12= 2.23D-14 2.78D-09 XBig12= 1.52D-02 2.54D-02.
     30 vectors produced by pass  2 Test12= 2.23D-14 2.78D-09 XBig12= 6.58D-04 3.72D-03.
     30 vectors produced by pass  3 Test12= 2.23D-14 2.78D-09 XBig12= 9.01D-06 4.48D-04.
     30 vectors produced by pass  4 Test12= 2.23D-14 2.78D-09 XBig12= 8.53D-08 2.59D-05.
     30 vectors produced by pass  5 Test12= 2.23D-14 2.78D-09 XBig12= 2.78D-10 1.37D-06.
     30 vectors produced by pass  6 Test12= 2.23D-14 2.78D-09 XBig12= 4.53D-13 6.49D-08.
      1 vectors produced by pass  7 Test12= 2.23D-14 2.78D-09 XBig12= 9.50D-16 2.79D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.78D-15
 Solved reduced A of dimension   211 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 9.72D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 9.72D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 5.54D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.905764D+02  0.818703D+00 -0.279892D+01
      2   0.818703D+00  0.791281D+02  0.186671D+01
      3  -0.279892D+01  0.186671D+01  0.758809D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.206016D+01 -0.164530D-01  0.246475D+00
      2   0.673589D+01 -0.629920D+01  0.344581D+02
      3   0.839512D+01 -0.251526D+02  0.756227D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.693493D+02 -0.288561D+02  0.420676D+01
      2  -0.399226D+02  0.265637D+02 -0.121096D+02
      3  -0.294267D+02  0.229243D+01  0.790285D+01
      4  -0.280968D+02  0.365490D+02 -0.171641D+02
      5   0.104120D+02 -0.198936D+02  0.683254D+02
      6  -0.500462D+01 -0.101206D+01 -0.644211D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.131979D+00  0.228985D+01 -0.396616D+01  0.416760D+01 -0.422336D+01
      2   0.228985D+01 -0.328092D+01  0.680670D+00 -0.422336D+01 -0.322592D+01
      3  -0.396616D+01  0.680670D+00  0.157864D+01  0.454825D+00 -0.123362D+01
                 6             7             8             9            10 
      1   0.454825D+00 -0.578031D+01  0.101749D+01 -0.541284D-01  0.208455D+01
      2  -0.123362D+01  0.101749D+01 -0.151468D+01  0.161770D+01 -0.210212D+01
      3   0.197200D+01 -0.541284D-01  0.161770D+01  0.766970D+01  0.443987D+01
                11            12            13            14            15 
      1  -0.210212D+01  0.443987D+01 -0.634326D+01  0.417328D+01  0.711872D-01
      2   0.429811D+01 -0.149135D+00  0.417328D+01  0.483200D+01  0.223292D+01
      3  -0.149135D+00 -0.117959D+01  0.711872D-01  0.223292D+01 -0.969752D+00
                16            17            18            19            20 
      1   0.727312D+01 -0.373227D+00 -0.587717D+00 -0.165291D+01  0.673960D+01
      2  -0.373227D+00  0.274040D+01 -0.139441D+00  0.673960D+01 -0.865393D-01
      3  -0.587717D+00 -0.139441D+00 -0.629326D+01 -0.139852D+01  0.141047D+00
                21            22            23            24            25 
      1  -0.139852D+01  0.673503D+01 -0.694419D+00  0.315262D+00 -0.443668D+01
      2   0.141047D+00 -0.694419D+00 -0.477573D+00 -0.824676D+00 -0.665944D+00
      3  -0.352364D+00  0.315262D+00 -0.824676D+00  0.190812D+01 -0.325957D+00
                26            27            28            29            30 
      1  -0.665944D+00 -0.325957D+00 -0.129511D+01 -0.481797D+01 -0.661233D+00
      2  -0.245371D+01  0.119622D+01 -0.481797D+01 -0.474735D-01  0.166341D+01
      3   0.119622D+01  0.664460D+01 -0.661233D+00  0.166341D+01  0.595118D+00
                31            32            33            34            35 
      1  -0.505250D+01 -0.780634D+00  0.222008D+01 -0.436371D+01  0.221070D+01
      2  -0.780634D+00 -0.877030D+00  0.911783D+00  0.221070D+01  0.652628D+00
      3   0.222008D+01  0.911783D+00 -0.155418D+01  0.154148D+01 -0.936954D+00
                36            37            38            39            40 
      1   0.154148D+01  0.723860D+01  0.314722D+01 -0.176829D+01  0.203792D+01
      2  -0.936954D+00  0.314722D+01  0.284203D+01 -0.826029D+00  0.136183D+01
      3  -0.262689D+01 -0.176829D+01 -0.826029D+00  0.447894D+00 -0.133351D+01
                41            42            43            44            45 
      1   0.136183D+01 -0.133351D+01 -0.318866D+01 -0.201472D+01 -0.100348D+01
      2  -0.335074D+01 -0.183252D+01 -0.201472D+01 -0.263364D+01 -0.172375D+01
      3  -0.183252D+01 -0.724270D+00 -0.100348D+01 -0.172375D+01 -0.250200D+01
                46            47            48            49            50 
      1   0.111504D+01  0.255304D+01 -0.513641D+01  0.293552D+01 -0.392516D+01
      2   0.255304D+01 -0.360922D+01  0.569180D+00 -0.392516D+01 -0.265384D+01
      3  -0.513641D+01  0.569180D+00  0.112418D+01  0.629479D+00 -0.335179D+01
                51            52            53            54            55 
      1   0.629479D+00 -0.392345D+01  0.286538D+00  0.843524D+00  0.140079D+01
      2  -0.335179D+01  0.286538D+00 -0.230920D+01  0.558831D+00 -0.187551D+01
      3   0.160232D+01  0.843524D+00  0.558831D+00  0.384697D+01  0.921602D+00
                56            57            58            59            60 
      1  -0.187551D+01  0.921602D+00 -0.152946D+01  0.262372D+01 -0.949896D+00
      2   0.358546D+01 -0.816339D+00  0.262372D+01  0.501174D+00  0.964887D+00
      3  -0.816339D+00  0.249602D+01 -0.949896D+00  0.964887D+00 -0.187330D+01
                61            62            63            64            65 
      1   0.125471D+01 -0.155233D+01  0.268469D+01 -0.652137D+01  0.288729D+01
      2  -0.155233D+01  0.109597D+01 -0.189471D+01  0.288729D+01 -0.225377D+01
      3   0.268469D+01 -0.189471D+01 -0.242173D+01  0.282471D+01 -0.127378D+01
                66            67            68            69            70 
      1   0.282471D+01  0.437547D+01 -0.219019D+01 -0.118407D+01  0.601045D+01
      2  -0.127378D+01 -0.219019D+01  0.421279D+01  0.156837D+01 -0.109127D+01
      3  -0.186780D+01 -0.118407D+01  0.156837D+01  0.186610D+01 -0.298536D+01
                71            72            73            74            75 
      1  -0.109127D+01 -0.298536D+01  0.505537D+00 -0.715792D+00 -0.103003D+01
      2   0.213830D+01  0.199942D+01 -0.715792D+00  0.193500D+00 -0.719159D-01
      3   0.199942D+01  0.565634D+01 -0.103003D+01 -0.719159D-01  0.179755D+00
                76            77            78            79            80 
      1  -0.136847D+01  0.285187D+00 -0.239454D-02 -0.124533D+01  0.964839D-01
      2   0.285187D+00  0.203495D+00 -0.109807D+01  0.964839D-01 -0.115861D+01
      3  -0.239454D-02 -0.109807D+01 -0.752033D+00  0.842185D-01 -0.228144D+00
                81            82            83            84            85 
      1   0.842185D-01 -0.148761D+01 -0.110304D+01 -0.887233D+00 -0.117336D+01
      2  -0.228144D+00 -0.110304D+01 -0.161893D+01  0.519537D-02 -0.133822D+01
      3  -0.882517D+01 -0.887233D+00  0.519537D-02 -0.270282D+00 -0.591202D-01
                86            87            88            89            90 
      1  -0.133822D+01 -0.591202D-01 -0.123395D+01 -0.718770D-01 -0.767877D-01
      2  -0.754336D+01 -0.120746D+01 -0.718770D-01 -0.119233D+01 -0.124418D+01
      3  -0.120746D+01 -0.147601D+01 -0.767877D-01 -0.124418D+01 -0.515900D-01
                91            92            93            94            95 
      1  -0.947059D+01 -0.537281D+01  0.345609D+00 -0.282133D+01 -0.265683D+01
      2  -0.537281D+01 -0.450482D+01  0.339395D-01 -0.265683D+01 -0.324989D+01
      3   0.345609D+00  0.339395D-01 -0.115986D+01  0.178891D+00 -0.109423D-01
                96            97            98            99           100 
      1   0.178891D+00  0.293628D+01  0.178816D+01 -0.119617D+01 -0.866000D+00
      2  -0.109423D-01  0.178816D+01  0.146164D+01 -0.751229D+00  0.198778D+01
      3  -0.604811D+00 -0.119617D+01 -0.751229D+00  0.347899D+00 -0.109710D+01
               101           102           103           104           105 
      1   0.198778D+01 -0.109710D+01  0.193487D+01 -0.239698D+01  0.118712D+01
      2  -0.259974D+01  0.143520D+01 -0.239698D+01  0.554338D+01 -0.213236D+01
      3   0.143520D+01 -0.121641D+01  0.118712D+01 -0.213236D+01  0.174944D+01
               106           107           108           109           110 
      1  -0.202079D+01  0.177866D+01 -0.153372D+01 -0.114766D+00  0.604807D+00
      2   0.177866D+01 -0.370042D+01  0.248343D+01  0.604807D+00 -0.673858D+00
      3  -0.153372D+01  0.248343D+01 -0.252313D+01  0.228781D+00 -0.492569D+00
               111           112           113           114           115 
      1   0.228781D+00  0.660503D+00 -0.325599D+00 -0.503961D+00  0.146955D+01
      2  -0.492569D+00 -0.325599D+00  0.187196D+01  0.105349D+01 -0.328482D+00
      3  -0.966359D+00 -0.503961D+00  0.105349D+01  0.129168D+01 -0.843073D+00
               116           117           118           119           120 
      1  -0.328482D+00 -0.843073D+00  0.127351D+01  0.935011D+00  0.119443D+01
      2   0.276877D+01  0.171351D+01  0.935011D+00  0.176475D+01  0.524696D+00
      3   0.171351D+01  0.454946D+01  0.119443D+01  0.524696D+00  0.988291D+00
               121           122           123           124           125 
      1   0.154294D+01  0.161644D+01  0.897890D+00  0.817616D+00  0.384988D+00
      2   0.161644D+01  0.514641D+01  0.198123D+01  0.384988D+00  0.138620D+01
      3   0.897890D+00  0.198123D+01  0.268498D+01  0.455577D+00  0.117229D+01
               126           127           128           129           130 
      1   0.455577D+00 -0.497968D+01 -0.856701D+00  0.263186D+01 -0.917769D+00
      2   0.117229D+01 -0.856701D+00 -0.791146D+00  0.648520D+00 -0.403568D+00
      3   0.121944D+01  0.263186D+01  0.648520D+00 -0.372494D+01  0.356846D+00
               131           132           133           134           135 
      1  -0.403568D+00  0.356846D+00  0.216579D+01  0.326111D+00 -0.206033D+01
      2  -0.437030D+00  0.114427D+01  0.326111D+00  0.850564D+00 -0.601068D+00
      3   0.114427D+01 -0.901116D+00 -0.206033D+01 -0.601068D+00  0.310562D+01
               136           137           138           139           140 
      1   0.386792D+01 -0.243005D+01  0.270863D+01 -0.281203D+01  0.259533D+01
      2  -0.243005D+01  0.239621D+01 -0.143034D+01  0.259533D+01 -0.312445D+01
      3   0.270863D+01 -0.143034D+01  0.245358D+01 -0.162517D+01  0.235087D+01
               141           142           143           144           145 
      1  -0.162517D+01  0.157018D+01 -0.100209D+01  0.163882D+01  0.818110D-01
      2   0.235087D+01 -0.100209D+01  0.149920D+01 -0.161616D+01 -0.290536D+00
      3  -0.262690D+01  0.163882D+01 -0.161616D+01  0.223917D+01 -0.643732D+00
               146           147           148           149           150 
      1  -0.290536D+00 -0.643732D+00 -0.751869D+00  0.737590D+00  0.194017D+00
      2   0.206377D+00 -0.125317D-01  0.737590D+00 -0.381495D+00 -0.115710D+01
      3  -0.125317D-01 -0.405918D+00  0.194017D+00 -0.115710D+01 -0.149187D+01
               151           152           153           154           155 
      1  -0.171942D+01  0.226200D+00  0.178435D+01  0.186609D+01  0.145775D+01
      2   0.226200D+00 -0.126793D+01 -0.123750D+01  0.145775D+01  0.188331D+01
      3   0.178435D+01 -0.123750D+01 -0.983179D+01  0.247425D+00 -0.149723D+00
               156           157           158           159           160 
      1   0.247425D+00  0.317605D+01  0.228073D+01 -0.484551D+00  0.948340D+00
      2  -0.149723D+00  0.228073D+01  0.563161D+01  0.576718D-01  0.606670D-01
      3   0.297726D+00 -0.484551D+00  0.576718D-01  0.119591D+01  0.511090D+00
               161           162           163           164           165 
      1   0.606670D-01  0.511090D+00  0.682219D+01 -0.303783D+01  0.104581D+01
      2   0.536458D+00  0.569594D+00 -0.303783D+01  0.229668D+01 -0.479489D+00
      3   0.569594D+00 -0.565121D+00  0.104581D+01 -0.479489D+00  0.982326D+00
               166           167           168           169           170 
      1  -0.479585D+01  0.326085D+01 -0.362929D+00  0.346626D+01 -0.107605D+01
      2   0.326085D+01 -0.262149D+01  0.583027D+00 -0.107605D+01  0.110039D+01
      3  -0.362929D+00  0.583027D+00 -0.129632D+01  0.112296D+01 -0.937855D+00
               171 
      1   0.112296D+01
      2  -0.937855D+00
      3   0.361489D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.365558D+01  0.301355D+01 -0.126769D-01  0.431618D+01  0.253168D+01
      2  -0.103414D+02  0.392789D+01  0.154261D+01  0.504105D+01 -0.699067D+01
      3  -0.624241D+01  0.633479D+01 -0.252030D+00  0.149051D+02  0.121816D+02
                 6             7             8             9            10 
      1  -0.686568D+00  0.484323D+00  0.285188D+01  0.345357D-01  0.435316D+01
      2   0.553759D+01 -0.918445D+01  0.562773D+01  0.223634D+02  0.877936D+01
      3   0.184348D+01 -0.223595D+01  0.356658D+01 -0.508984D+01  0.158089D+01
                11            12            13            14            15 
      1  -0.733185D+00 -0.422115D+00 -0.743342D+00  0.290717D+01 -0.483680D+01
      2  -0.129754D+01  0.313628D+01 -0.527301D+01  0.302345D+01 -0.126905D+01
      3  -0.537005D+01 -0.156116D+01  0.142091D+00 -0.118672D+02 -0.270882D+01
                16            17            18            19            20 
      1  -0.156613D+01  0.174119D+01 -0.305057D+01 -0.591807D+01 -0.635451D+00
      2  -0.254194D+01  0.731169D-01 -0.655039D+01 -0.131826D+01  0.240644D+01
      3   0.357433D+00 -0.199499D+01  0.122654D+01  0.457219D+01 -0.282401D+01
                21            22            23            24            25 
      1  -0.130233D+01  0.702248D+00  0.292385D+01  0.109608D+01 -0.685044D+00
      2   0.140650D+01  0.535038D+01 -0.171345D+01  0.144709D+01 -0.942349D+01
      3   0.138276D+01  0.163469D+01  0.177632D+01  0.954049D+00 -0.175269D+01
                26            27            28            29            30 
      1   0.519551D+01 -0.311999D+01  0.361982D+01  0.426007D+01  0.134683D+01
      2  -0.116348D+01 -0.160419D+01 -0.837615D+01 -0.375861D+01 -0.533433D+01
      3   0.666727D+00  0.290923D+00 -0.798611D+01  0.269455D+01 -0.118158D+01
                31            32            33            34            35 
      1   0.982861D+00 -0.782855D+01  0.321790D+00  0.875819D+00  0.336073D+01
      2   0.272981D+01  0.235616D+01  0.676993D+00 -0.137741D+02 -0.843962D+00
      3   0.399014D+01  0.315580D+01 -0.268373D+01 -0.817612D+01 -0.965857D+01
                36            37            38            39            40 
      1   0.712636D+01 -0.390012D+01 -0.135605D+01 -0.369480D+00 -0.892556D+00
      2   0.909933D+01  0.696730D+01  0.395359D+01  0.575819D+00 -0.180537D+01
      3  -0.197716D+01 -0.126672D+01 -0.550638D-01  0.603196D+00  0.645373D+01
                41            42            43            44            45 
      1   0.199702D+01 -0.499174D+01  0.248913D+01  0.367975D+01 -0.315388D+01
      2   0.320521D+01  0.163961D+01 -0.399596D+01  0.207013D+01  0.505706D+01
      3  -0.759269D+01 -0.187488D+01  0.252773D+01 -0.102206D+01 -0.308392D+01
                46            47            48            49            50 
      1   0.232037D+01 -0.689501D+01  0.190080D+01 -0.731551D+01 -0.696944D+01
      2  -0.115350D+02 -0.433797D+01  0.150812D+02 -0.269026D+01  0.255806D+01
      3  -0.446561D+01  0.193993D+01  0.107553D+01  0.624053D+01  0.586093D+01
                51            52            53            54            55 
      1  -0.970071D+01  0.118558D+01 -0.287206D+01  0.468130D+01 -0.368988D+00
      2   0.529167D+00  0.739148D+01  0.390813D+00  0.249819D+01  0.145717D+01
      3   0.420023D+01  0.116703D+01  0.289013D+01 -0.108595D+01  0.555044D+01
                56            57            58            59            60 
      1   0.187423D+01 -0.714600D+01  0.979628D+00 -0.486777D+01 -0.784179D+00
      2  -0.363207D+00  0.480808D+01 -0.933313D+00  0.137579D+01 -0.547192D+00
      3  -0.978176D+01  0.188424D+01  0.275940D+01  0.797783D+01 -0.258764D+01
                61            62            63            64            65 
      1  -0.580686D+01  0.964719D+01  0.611729D+01 -0.111186D+01 -0.334102D+01
      2   0.756237D+00 -0.317126D+00  0.185224D+00 -0.992761D+00  0.299819D+01
      3   0.163532D+01 -0.374196D+01  0.793437D+01  0.219237D+01 -0.982848D+01
                66            67            68            69            70 
      1   0.157361D+01  0.567387D+00  0.234824D+01 -0.348673D+01 -0.192646D+00
      2   0.993013D+01  0.129255D+01 -0.496778D+01 -0.361344D+01  0.301805D+01
      3  -0.942401D+00  0.562172D+00  0.714694D+01  0.369227D+01  0.517017D+01
                71            72            73            74            75 
      1   0.430740D+01 -0.264680D+01  0.840454D+00 -0.318457D+00  0.272366D+00
      2  -0.355439D+01 -0.132799D+02  0.887258D+00 -0.347311D+00  0.401597D-01
      3   0.801268D+01  0.357031D+01  0.115992D+00 -0.745658D+00 -0.590874D+00
                76            77            78            79            80 
      1  -0.292135D+00 -0.910365D-01  0.167706D+00 -0.463530D-01  0.387171D+01
      2  -0.139045D+01  0.301491D+00 -0.129298D+00 -0.363943D+01  0.192589D+00
      3   0.150223D+01 -0.892703D-01 -0.397556D+00  0.557740D+00 -0.244779D-01
                81            82            83            84            85 
      1   0.239097D+01 -0.141011D+01  0.173963D+00 -0.629801D+00 -0.189760D+00
      2   0.702386D+00 -0.136868D+01 -0.218652D+00  0.326872D+00 -0.224785D+00
      3  -0.156874D+00  0.394497D+01  0.172773D+01  0.972789D+00  0.644585D+01
                86            87            88            89            90 
      1  -0.271530D+00 -0.385113D+01 -0.581634D-01  0.372925D+00 -0.661548D-01
      2  -0.100141D+01 -0.112259D+01 -0.175169D+01 -0.134110D+01  0.313295D-01
      3   0.890098D+01  0.158111D+01  0.162657D+01  0.144757D+01  0.149481D+01
                91            92            93            94            95 
      1   0.432470D+01  0.270246D+01 -0.223507D+01  0.237257D+01  0.225290D+01
      2  -0.581147D+01 -0.351448D+01  0.417002D+01 -0.281009D+01 -0.236996D+01
      3   0.246795D+01 -0.424938D+01 -0.761557D+00  0.215805D+00 -0.270732D+01
                96            97            98            99           100 
      1  -0.104955D+01 -0.200941D+01 -0.899014D+00  0.125135D+01  0.116932D+01
      2   0.163442D+01  0.337408D+01  0.227342D+01 -0.239779D+01 -0.164991D+01
      3  -0.249000D-02  0.178316D+00  0.207360D+01 -0.327762D+00 -0.374899D+01
               101           102           103           104           105 
      1  -0.194493D+01  0.345884D+01 -0.202330D+01  0.198898D+01 -0.419370D+01
      2   0.107919D+01  0.111930D+00  0.163016D+01 -0.141988D+01  0.304738D+00
      3   0.344198D+01 -0.267273D+01  0.709024D+01 -0.608165D+01  0.360302D+01
               106           107           108           109           110 
      1   0.270436D+01 -0.248012D+01  0.428844D+01 -0.889458D+00  0.700035D+00
      2  -0.245981D+01  0.120715D+01 -0.773188D+00  0.105879D+01  0.283719D+00
      3  -0.558045D+01  0.488739D+01 -0.436235D+01 -0.121259D+01 -0.203476D+00
               111           112           113           114           115 
      1   0.299898D+01  0.119975D+01 -0.294606D+01 -0.375923D+01  0.248634D+01
      2  -0.486354D+00  0.103997D+00  0.271968D+00  0.264945D+00 -0.290714D+01
      3   0.966569D+00  0.167905D+01 -0.116529D+01 -0.146881D+01  0.445954D+01
               116           117           118           119           120 
      1  -0.335802D+01 -0.126721D+02  0.210156D+01  0.384920D+01  0.677101D+00
      2   0.463869D+00  0.807675D+00 -0.185055D+00 -0.807559D+00  0.624434D+00
      3  -0.151202D+01 -0.303960D+01 -0.752508D+00 -0.352824D+01 -0.974613D+00
               121           122           123           124           125 
      1   0.301028D+01  0.130803D+02  0.199422D+01  0.121510D+01  0.417585D+01
      2  -0.271481D+01 -0.245531D+00  0.298332D+01 -0.194078D+01  0.738356D+00
      3  -0.293027D+00 -0.875636D+01 -0.237301D+01 -0.372465D+00 -0.176318D+01
               126           127           128           129           130 
      1   0.238002D+01  0.173019D+00 -0.240964D+01 -0.125458D+01 -0.716593D+00
      2   0.659866D+00  0.166946D+02  0.224162D+01 -0.688818D+01  0.200401D+01
      3  -0.177412D+01  0.403586D+01 -0.444937D+00 -0.156740D+01  0.192337D+01
               131           132           133           134           135 
      1   0.127475D+00  0.660598D+00 -0.537885D+00  0.268962D+01  0.535779D+00
      2   0.185899D+01 -0.134944D+01 -0.904123D+01 -0.134773D+01  0.643868D+01
      3   0.281603D+00 -0.135695D+01 -0.141185D+01 -0.846103D-01  0.159893D+01
               136           137           138           139           140 
      1  -0.284298D+01  0.480570D+01 -0.137707D+00  0.377207D+01 -0.484481D+01
      2  -0.366224D+01  0.227191D+01  0.114940D+01  0.363858D+01 -0.121084D+01
      3   0.453499D+00 -0.377036D+01  0.740246D+00 -0.352467D+00  0.359782D+01
               141           142           143           144           145 
      1   0.608341D+00 -0.131136D+01  0.324635D+01 -0.118475D+01 -0.866632D-01
      2  -0.179758D+01 -0.301908D+01  0.422705D-01  0.639613D+00 -0.227128D+01
      3  -0.232406D+01 -0.208265D+00 -0.213949D+01  0.131926D+01  0.100266D+01
               146           147           148           149           150 
      1  -0.365487D-01 -0.695388D-01 -0.401825D+00  0.787036D-01 -0.582395D+00
      2  -0.308447D+00 -0.186687D+00 -0.581893D+00 -0.193599D+01 -0.383544D+01
      3  -0.112141D+01  0.343769D+00 -0.602784D+00  0.353872D+00  0.251992D+01
               151           152           153           154           155 
      1   0.327902D+00  0.381201D+01 -0.271367D+01 -0.135298D+01 -0.187874D+01
      2  -0.959250D+00 -0.306183D+01 -0.243807D+02  0.211441D+01  0.884178D+00
      3   0.607519D+00  0.355960D+01  0.275569D+01 -0.457831D+01 -0.600530D+01
               156           157           158           159           160 
      1  -0.533603D+00 -0.173630D+01 -0.511383D+01 -0.207597D+01 -0.203639D+00
      2   0.185044D+01  0.109807D+01  0.267557D+01  0.396920D+01  0.575294D+00
      3   0.435338D+00 -0.360049D+01 -0.192443D+02 -0.452445D+00  0.138008D+00
               161           162           163           164           165 
      1   0.597707D+00 -0.599047D+00  0.263439D+01 -0.183017D+01  0.188437D+01
      2   0.141884D+01 -0.767002D+00  0.815440D+01 -0.415997D+01  0.608121D+01
      3  -0.179914D+01 -0.135998D+01  0.392691D+01 -0.777264D+01  0.116601D+01
               166           167           168           169           170 
      1  -0.219276D+01  0.176372D+01 -0.278958D+01  0.105846D+01 -0.378826D+00
      2  -0.446462D+01  0.422883D+01 -0.532304D+01  0.423757D+01 -0.327952D+01
      3  -0.541002D+01  0.668129D+01 -0.156514D+01  0.131241D+01 -0.336377D+01
               171 
      1   0.133484D+01
      2   0.267180D+01
      3   0.206673D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.711966D+00  0.129606D+02 -0.201909D+02  0.158222D+02 -0.260791D+02
      2  -0.709667D+01 -0.316843D+01  0.949350D+01 -0.567741D+01  0.984321D+01
      3   0.780864D+01 -0.979217D+01  0.106974D+02 -0.101447D+02  0.162359D+02
      4   0.179973D+02 -0.205084D+02  0.625244D+01 -0.308274D+02 -0.150774D+02
      5  -0.224839D+02  0.276874D+01  0.845738D+01  0.186424D+01 -0.377639D+01
      6   0.152844D+01  0.211972D+01 -0.113904D+01  0.302313D+01  0.593829D+01
                 6             7             8             9            10 
      1   0.468581D+01 -0.254813D+02  0.785108D+01  0.149697D+02 -0.111473D+02
      2   0.156632D+01  0.938536D+01  0.355976D+00  0.679587D+01  0.624984D+00
      3  -0.625213D+01  0.160959D+02 -0.820706D+01 -0.217656D+02  0.105223D+02
      4  -0.589161D+01  0.992546D+01 -0.862988D+01  0.874356D+01 -0.342808D+01
      5   0.730489D+01  0.363189D+01  0.750647D+01  0.306522D+02  0.180561D+02
      6  -0.859980D+00  0.818277D+00 -0.889796D+00 -0.115069D+02 -0.522098D+01
                11            12            13            14            15 
      1  -0.811331D+00  0.141177D+02 -0.168798D+01  0.184851D+02  0.272392D+01
      2  -0.154368D+01 -0.923718D+01 -0.782503D+00 -0.231140D+02 -0.416654D+01
      3   0.235502D+01 -0.488049D+01  0.247048D+01  0.462885D+01  0.144262D+01
      4   0.770239D+01 -0.410928D+01  0.191356D+02  0.493014D+01  0.405581D+01
      5  -0.950394D+00 -0.357559D+01 -0.715436D+00  0.442211D+01 -0.216649D+01
      6   0.490962D+00  0.145264D+01  0.856167D+00 -0.632353D+01  0.538247D+01
                16            17            18            19            20 
      1   0.190690D+02 -0.316590D+00  0.606742D+00 -0.133560D+02 -0.934327D+01
      2  -0.885988D+01 -0.823383D+00  0.201772D+01  0.156443D+02  0.268588D+01
      3  -0.102091D+02  0.113997D+01 -0.262446D+01 -0.228828D+01  0.665739D+01
      4  -0.681720D+01  0.312045D+01 -0.586792D+00 -0.827200D+01 -0.457486D+01
      5  -0.308422D+01 -0.196999D+00 -0.156155D+02 -0.525843D+01 -0.203908D+01
      6  -0.376546D+00 -0.139973D+01  0.245424D+01  0.648560D-01 -0.111279D+01
                21            22            23            24            25 
      1  -0.742994D+00 -0.303649D+00 -0.116434D+01  0.126755D+01 -0.628676D+01
      2   0.216010D+01 -0.324798D+01 -0.593704D+01 -0.516156D-01  0.200013D+01
      3  -0.141711D+01  0.355163D+01  0.710138D+01 -0.121594D+01  0.428664D+01
      4   0.106089D+01 -0.180766D+02 -0.484438D+01 -0.394877D+00  0.549932D+01
      5   0.999877D+00  0.310182D+01  0.467267D+00  0.245514D+01  0.256491D+01
      6  -0.192093D+00  0.472759D-01  0.381132D+01 -0.438049D+01 -0.380479D+00
                26            27            28            29            30 
      1   0.616512D+01  0.111487D+02  0.594515D+00  0.149145D+02  0.544222D+00
      2  -0.351324D+01  0.132054D+02 -0.141739D+01 -0.729436D+01 -0.500625D+01
      3  -0.265188D+01 -0.243541D+02  0.822875D+00 -0.762015D+01  0.446203D+01
      4   0.597057D+00 -0.145214D+01  0.184253D+02 -0.307728D+01 -0.801171D+01
      5  -0.690517D+00  0.629659D-02  0.765058D+01 -0.688583D+01 -0.109843D+02
      6   0.363896D+01  0.119375D+01 -0.377091D+01  0.452014D+00 -0.112529D+01
                31            32            33            34            35 
      1   0.230567D+02  0.878892D+01 -0.519576D+01  0.150355D+02 -0.485636D+01
      2  -0.125106D+02 -0.104608D+02  0.954553D+01 -0.873246D+01 -0.196727D+01
      3  -0.105461D+02  0.167191D+01 -0.434976D+01 -0.630309D+01  0.682363D+01
      4  -0.107223D+01 -0.320462D-01 -0.258247D+01 -0.118169D+02  0.573167D+01
      5  -0.171096D+02 -0.198933D+01 -0.198395D+01 -0.955058D+01 -0.291244D+00
      6  -0.455592D+01 -0.728208D+01 -0.301284D+01 -0.211968D+01 -0.138253D+01
                36            37            38            39            40 
      1  -0.789253D+01 -0.243934D+02 -0.122428D+02  0.699393D+01 -0.141564D+02
      2   0.430098D+01  0.669748D+01  0.376574D+01 -0.371405D+01  0.680974D+01
      3   0.359155D+01  0.176960D+02  0.847710D+01 -0.327988D+01  0.734663D+01
      4   0.190178D+01 -0.212420D+02 -0.998946D+01  0.680027D+01  0.634453D+00
      5   0.146992D+02  0.667499D+01  0.372678D+01  0.635607D+01  0.813568D+01
      6  -0.604973D+01  0.511673D+01  0.243821D+01  0.114127D+01  0.562030D+01
                41            42            43            44            45 
      1  -0.218576D+02 -0.532143D+00  0.111603D+02  0.189347D+01 -0.411126D+01
      2   0.253619D+02 -0.441647D-01 -0.397649D+01  0.203733D+01 -0.279903D+01
      3  -0.350432D+01  0.576308D+00 -0.718386D+01 -0.393080D+01  0.691029D+01
      4   0.130046D+02  0.789031D+01  0.142873D+02  0.111796D+02  0.605650D+01
      5   0.800066D+01  0.779311D+01  0.108055D+02  0.915105D+01  0.131606D+02
      6   0.950501D+01  0.102832D+02  0.334072D+01  0.107426D+02  0.904193D+01
                46            47            48            49            50 
      1   0.130018D+02  0.504300D+01 -0.138982D+02  0.404836D+01 -0.627920D+01
      2   0.137832D+01 -0.695277D+00  0.324019D+01 -0.118208D+01  0.100876D+02
      3  -0.143802D+02 -0.434773D+01  0.106581D+02 -0.286628D+01 -0.380835D+01
      4   0.536599D+01 -0.143710D+02  0.911929D+01 -0.167127D+02 -0.372065D+01
      5  -0.782322D+01  0.948590D+01 -0.121315D+02  0.803083D+01 -0.207742D+02
      6   0.142671D+02 -0.135403D+02 -0.149246D-01 -0.150623D+02 -0.603690D+01
                51            52            53            54            55 
      1   0.600954D+00 -0.115423D+02 -0.134406D+01 -0.650553D+01  0.123675D+02
      2  -0.173692D+00  0.164382D+01  0.696331D-01 -0.736178D+01 -0.919055D+01
      3  -0.427263D+00  0.989851D+01  0.127442D+01  0.138673D+02 -0.317698D+01
      4  -0.128537D+02  0.743886D+01 -0.827914D+01  0.207636D+01  0.478663D+01
      5   0.478680D+01 -0.125804D+02  0.239980D+01  0.130122D+02 -0.780888D+00
      6  -0.138658D+02  0.135032D+01 -0.964540D+01  0.343941D+01  0.457784D+01
                56            57            58            59            60 
      1  -0.109174D+02  0.225429D+01 -0.789316D+01 -0.467909D+01 -0.219589D+01
      2   0.173989D+02 -0.276101D+01  0.159036D+02  0.161291D+02  0.456945D+01
      3  -0.648152D+01  0.506716D+00 -0.801048D+01 -0.114500D+02 -0.237356D+01
      4  -0.157520D+01  0.302750D+01  0.900335D+01  0.203036D+02 -0.336209D+01
      5   0.262612D+01  0.149072D+01  0.844448D+00 -0.372900D+01  0.155719D+01
      6  -0.703649D+01  0.122962D+02 -0.648961D+01  0.542619D+01 -0.313120D+01
                61            62            63            64            65 
      1   0.481642D+01 -0.310547D+00  0.522472D+01  0.374639D+02 -0.106167D+02
      2  -0.410030D+01  0.366246D+01 -0.110071D+02 -0.204445D+02  0.324698D+01
      3  -0.716114D+00 -0.335191D+01  0.578238D+01 -0.170194D+02  0.736970D+01
      4   0.375191D+01 -0.196152D+01  0.107893D+02 -0.187192D+02  0.180154D+02
      5   0.426647D+01  0.394265D+01 -0.265749D+01 -0.172001D+02  0.731149D+01
      6   0.125004D+02 -0.738568D+01 -0.773330D+01  0.262742D+01 -0.232341D+01
                66            67            68            69            70 
      1  -0.924670D+01 -0.160236D+02  0.186568D+01  0.171426D+01 -0.145021D+02
      2   0.100464D+02  0.688519D+01  0.540628D+01 -0.323079D+01  0.100412D+02
      3  -0.799664D+00  0.913841D+01 -0.727196D+01  0.151653D+01  0.446094D+01
      4   0.760756D+01  0.175483D+02 -0.168770D+02 -0.815305D+01  0.665262D+01
      5   0.186768D+02  0.812003D+01 -0.827929D+01 -0.695794D+01  0.213030D+02
      6  -0.277965D+01 -0.364932D+01  0.326597D+01  0.761275D+01 -0.249678D+01
                71            72            73            74            75 
      1   0.540714D+00  0.390143D+01  0.637442D+00  0.611754D+00  0.103875D+00
      2  -0.157801D+00 -0.146584D+02 -0.440243D+01  0.305140D+00 -0.277675D+00
      3  -0.382913D+00  0.107570D+02  0.376499D+01 -0.916894D+00  0.173800D+00
      4  -0.112969D+02 -0.991998D+01  0.209636D+00  0.177628D+01 -0.737561D+00
      5  -0.809388D+01 -0.276185D+02  0.215146D+00  0.220324D-01  0.636000D+01
      6   0.706239D+01  0.502047D+01 -0.571114D+00  0.655303D-01 -0.157666D+00
                76            77            78            79            80 
      1   0.120592D+01 -0.415614D+01 -0.133395D+01  0.747970D+00  0.602627D+00
      2   0.278502D+00  0.551255D+00 -0.171506D+01  0.226395D+00 -0.245483D+01
      3  -0.148442D+01  0.360489D+01  0.304901D+01 -0.974366D+00  0.185220D+01
      4   0.247915D+01 -0.325219D+00  0.142185D+00 -0.701945D+00  0.742057D-02
      5  -0.208892D-01 -0.174191D+00 -0.330507D+00  0.510104D+01  0.170375D+00
      6   0.246595D+00  0.411230D+00  0.673997D+01  0.114827D+00  0.465023D+01
                81            82            83            84            85 
      1  -0.208191D+02 -0.322615D+00 -0.324896D+01 -0.210688D+01 -0.582181D+01
      2  -0.171864D+02  0.436461D+01  0.460008D+01  0.192934D+01  0.641011D+01
      3   0.380054D+02 -0.404200D+01 -0.135112D+01  0.177536D+00 -0.588296D+00
      4   0.477525D+00  0.101771D+01  0.433197D+01  0.808195D+00  0.249077D+01
      5   0.123475D+01 -0.145716D+01  0.554504D+00  0.127919D+01  0.105203D+01
      6  -0.346819D+01  0.130163D+01  0.114256D+01  0.670870D+00  0.729121D+00
                86            87            88            89            90 
      1  -0.202351D+02 -0.140135D+01 -0.337991D+01 -0.252311D+01 -0.435952D+01
      2   0.331948D+02  0.432080D+01  0.208968D+01  0.295179D+01  0.282004D+01
      3  -0.129597D+02 -0.291946D+01  0.129022D+01 -0.428687D+00  0.153949D+01
      4  -0.963174D+01 -0.175284D+01  0.259521D+00 -0.156408D+01 -0.909709D+00
      5  -0.186397D+01 -0.313031D+01  0.254483D+01 -0.142887D+01  0.783406D+00
      6   0.564261D+01  0.541982D+01  0.154579D+01  0.776774D+01  0.293156D+01
                91            92            93            94            95 
      1   0.440967D+02  0.203495D+02 -0.253582D+01  0.761182D+01  0.640811D+01
      2  -0.161025D+02 -0.494492D+01  0.153226D+00  0.101552D+01  0.273992D+01
      3  -0.279941D+02 -0.154046D+02  0.238259D+01 -0.862735D+01 -0.914803D+01
      4   0.354345D+02  0.250602D+02 -0.117360D+01  0.163322D+02  0.163391D+02
      5   0.266714D+01  0.194838D+01  0.563776D+01  0.665054D+00  0.108612D+01
      6  -0.734819D+00  0.647946D+00  0.282173D+01  0.608764D+00  0.590003D+00
                96            97            98            99           100 
      1  -0.513191D+00 -0.118062D+02 -0.592932D+01  0.370115D+01 -0.232080D+01
      2  -0.302288D+00  0.370213D+01  0.453978D+00 -0.157787D+01  0.551189D+01
      3   0.815479D+00  0.810406D+01  0.547534D+01 -0.212328D+01 -0.319109D+01
      4  -0.632861D+00 -0.115669D+02 -0.869477D+01  0.521756D+01 -0.587356D+01
      5   0.213565D+01  0.672211D+01  0.382829D+01 -0.208454D+01  0.291596D+01
      6   0.208939D+01  0.400633D+01  0.327841D+01 -0.168823D+01 -0.627779D+01
               101           102           103           104           105 
      1   0.846512D+01 -0.397256D+01  0.642048D+01 -0.164199D+02  0.693413D+01
      2  -0.131790D+02  0.495091D+01 -0.106940D+02  0.256874D+02 -0.945526D+01
      3   0.471391D+01 -0.978348D+00  0.427354D+01 -0.926745D+01  0.252113D+01
      4   0.110895D+02 -0.531694D+01  0.972751D+01 -0.119696D+02  0.545244D+01
      5  -0.350195D+01  0.418069D+01 -0.226993D+01  0.385161D+01 -0.220511D+01
      6   0.973754D+01 -0.809089D+01  0.783654D+01 -0.154558D+02  0.109983D+02
               106           107           108           109           110 
      1  -0.528647D+01  0.106263D+02 -0.915120D+01 -0.111993D+01  0.279591D+01
      2   0.596715D+01 -0.119963D+02  0.706994D+01  0.164673D+01 -0.439084D+01
      3  -0.680676D+00  0.137001D+01  0.208126D+01 -0.526801D+00  0.159493D+01
      4  -0.653015D+01  0.764943D+01 -0.644674D+01  0.249423D-02  0.336278D+01
      5   0.388394D+01 -0.361803D+01  0.357398D+01 -0.137563D+01 -0.425797D+00
      6  -0.848989D+01  0.157192D+02 -0.133200D+02  0.710769D+00 -0.217391D+01
               111           112           113           114           115 
      1   0.133607D+01  0.112747D+01 -0.571760D+01 -0.317424D+01  0.562906D+00
      2  -0.208752D+01 -0.190479D+01  0.852707D+01  0.462176D+01 -0.169239D+01
      3   0.751448D+00  0.777318D+00 -0.280947D+01 -0.144752D+01  0.112948D+01
      4   0.583459D+00  0.365218D+01 -0.262165D+01 -0.204826D+01  0.386052D+01
      5   0.149829D+01 -0.100292D+00 -0.669538D+00 -0.223880D+00  0.325075D+00
      6  -0.430417D+01 -0.225796D+01  0.471245D+01  0.798556D+01 -0.431106D+01
               116           117           118           119           120 
      1  -0.832194D+01 -0.744188D+01  0.344346D+01  0.287549D+01  0.191811D+01
      2   0.107060D+02  0.524178D+01 -0.366886D+01 -0.230212D+01 -0.332416D+01
      3  -0.238407D+01  0.220010D+01  0.225397D+00 -0.573372D+00  0.140604D+01
      4  -0.313372D+01 -0.411465D+01  0.485848D+01  0.824071D+01  0.184378D+01
      5  -0.100993D+01 -0.425151D+00  0.704416D+01  0.470962D+01  0.816737D+01
      6   0.864199D+01  0.187997D+02  0.273194D+01  0.673975D+01  0.238976D+01
               121           122           123           124           125 
      1   0.432393D+01 -0.182651D+01 -0.401335D+01  0.483916D+00 -0.245227D+01
      2  -0.384141D+01  0.719397D+00 -0.525328D+01 -0.169932D+01 -0.233272D+01
      3  -0.482515D+00  0.110711D+01  0.926663D+01  0.121540D+01  0.478498D+01
      4   0.809855D+01  0.155559D+02  0.752054D+01  0.886698D+00  0.429302D+01
      5   0.809869D+01  0.117459D+02  0.100965D+02  0.558880D+01  0.499120D+01
      6   0.717274D+01  0.190003D+02  0.106113D+02  0.232917D+01  0.925889D+01
               126           127           128           129           130 
      1  -0.299395D+01 -0.100261D+02 -0.399908D+01  0.143875D+02 -0.282431D+01
      2  -0.244750D+01 -0.851311D+00  0.137695D+01  0.360440D+01  0.154088D+01
      3   0.544145D+01  0.108774D+02  0.262213D+01 -0.179919D+02  0.128343D+01
      4   0.378391D+01  0.438624D+01  0.269315D+01 -0.336675D+01  0.390587D+01
      5   0.498752D+01 -0.125107D+02 -0.287048D+01  0.597512D+01 -0.284416D+01
      6   0.520168D+01 -0.584991D+01 -0.461837D+01  0.602070D+01 -0.264296D+01
               131           132           133           134           135 
      1  -0.335771D+01  0.304220D+01  0.100815D+02  0.277346D+01 -0.130788D+02
      2   0.815969D+00 -0.567750D+00  0.231488D+01 -0.249946D+00 -0.564190D+01
      3   0.254174D+01 -0.247445D+01 -0.123964D+02 -0.252352D+01  0.187207D+02
      4   0.137152D+01  0.723219D+00 -0.222586D+01  0.307662D+00  0.178102D+01
      5   0.653201D+00  0.125387D+00  0.888610D+01  0.767233D+00 -0.515412D+01
      6  -0.265888D+01  0.659789D+01  0.334974D+01  0.570843D+01 -0.522994D+01
               136           137           138           139           140 
      1   0.115896D+02 -0.429317D+01  0.286823D+01 -0.513205D+01 -0.154322D+01
      2  -0.893221D+01  0.161693D+01 -0.687236D+01  0.171807D+01  0.404738D+01
      3  -0.265737D+01  0.267624D+01  0.400413D+01  0.341398D+01 -0.250416D+01
      4  -0.144653D+02  0.135880D+02 -0.861314D+01  0.148033D+02 -0.151924D+02
      5   0.203643D+02 -0.119447D+02  0.177529D+02 -0.136876D+02  0.138556D+02
      6  -0.111527D+02  0.114047D+02 -0.887061D+01  0.114557D+02 -0.152269D+02
               141           142           143           144           145 
      1   0.319666D+01  0.193849D+01  0.229888D+01 -0.246915D+01  0.102412D+01
      2   0.215881D+01 -0.515439D+01  0.191173D+01 -0.581856D+01 -0.260211D+01
      3  -0.535547D+01  0.321589D+01 -0.421061D+01  0.828771D+01  0.157800D+01
      4   0.100121D+02 -0.554904D+01  0.622691D+01 -0.757501D+01 -0.175687D+01
      5  -0.126846D+02  0.133308D+02 -0.868170D+01  0.129931D+02 -0.264546D+01
      6   0.138365D+02 -0.681195D+01  0.101245D+02 -0.101370D+02  0.131475D+01
               146           147           148           149           150 
      1  -0.211631D+01 -0.467279D+01 -0.323599D+01 -0.541933D-01 -0.326993D+01
      2   0.918165D+00  0.231341D+01  0.137315D+01 -0.686838D+00 -0.258098D-01
      3   0.119814D+01  0.235939D+01  0.186283D+01  0.741031D+00  0.329574D+01
      4   0.281638D+01  0.567743D+00  0.569433D+01 -0.184344D+01 -0.524617D+01
      5   0.571908D+00  0.553523D+01  0.198495D+01 -0.487142D+01 -0.636375D+01
      6   0.182852D+00  0.674554D+00 -0.168927D+01  0.346083D+01  0.844993D+01
               151           152           153           154           155 
      1  -0.706879D+01 -0.297566D+01 -0.151248D+02  0.122885D+02  0.818461D+01
      2   0.749432D+01 -0.344800D+00 -0.188359D+02 -0.326500D+01 -0.319362D+01
      3  -0.425534D+00  0.332046D+01  0.339607D+02 -0.902346D+01 -0.499099D+01
      4   0.205771D+01 -0.639050D+01 -0.667609D+01  0.832339D+01  0.143811D+02
      5   0.147629D+02 -0.606945D+01 -0.455384D+02 -0.434029D-01 -0.165388D+01
      6  -0.273852D+01  0.826982D+01  0.130431D+02 -0.174155D+01 -0.270368D+01
               156           157           158           159           160 
      1   0.167747D+01  0.179424D+02  0.111152D+02 -0.104523D+01  0.575340D+01
      2  -0.446577D+00 -0.768670D+01  0.142141D+01  0.169788D+01 -0.203748D+01
      3  -0.123089D+01 -0.102557D+02 -0.125366D+02 -0.652644D+00 -0.371593D+01
      4  -0.497543D+00  0.176474D+02  0.317470D+02  0.161525D+00  0.336115D+00
      5   0.242436D+01 -0.446897D+01 -0.173800D+00  0.757637D+01  0.365951D+01
      6   0.562025D+00 -0.245142D+01 -0.734722D+01  0.210268D+01  0.117889D+01
               161           162           163           164           165 
      1   0.377912D+00 -0.317078D+00  0.476591D+02 -0.175199D+02  0.743366D+01
      2   0.201993D+00 -0.155824D+01 -0.182789D+02  0.425172D+01 -0.229870D+01
      3  -0.579906D+00  0.187531D+01 -0.293801D+02  0.132682D+02 -0.513496D+01
      4   0.281165D+01  0.314308D+01 -0.262319D+02  0.201665D+02 -0.397789D+01
      5   0.375698D+01 -0.252025D+01  0.319168D+01 -0.158668D+01  0.778071D+01
      6   0.281067D+01  0.879827D+00  0.107826D+01 -0.191282D+01 -0.135547D+01
               166           167           168           169           170 
      1  -0.250262D+02  0.139546D+02 -0.273491D+01  0.175703D+02 -0.534420D+01
      2   0.668427D+01  0.117026D+01 -0.100535D+01 -0.674639D+01  0.244904D+00
      3   0.183419D+02 -0.151249D+02  0.374026D+01 -0.108239D+02  0.509929D+01
      4   0.261122D+02 -0.202977D+02  0.416081D+01 -0.974808D+01  0.802563D+01
      5  -0.680834D+00  0.221867D+01 -0.778458D+01  0.841455D+01 -0.561472D+01
      6  -0.159653D+01  0.433737D+00  0.302157D+01 -0.199084D+01  0.215742D+01
               171 
      1   0.412507D+01
      2  -0.314632D+01
      3  -0.978748D+00
      4  -0.628947D+01
      5   0.371171D+01
      6  -0.100583D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 20:07:54 2021, MaxMem=  5368709120 cpu:           12487.9 elap:            1561.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.20713 -19.15166 -14.32182 -10.32406 -10.23187
 Alpha  occ. eigenvalues --  -10.19646 -10.17531 -10.17107  -1.12560  -1.03682
 Alpha  occ. eigenvalues --   -0.90694  -0.80217  -0.72003  -0.69079  -0.62109
 Alpha  occ. eigenvalues --   -0.56935  -0.52686  -0.50895  -0.49896  -0.46694
 Alpha  occ. eigenvalues --   -0.44713  -0.43429  -0.42164  -0.41670  -0.38689
 Alpha  occ. eigenvalues --   -0.38147  -0.35066  -0.34479  -0.33935  -0.33052
 Alpha  occ. eigenvalues --   -0.29401  -0.25919
 Alpha virt. eigenvalues --   -0.01817  -0.01203  -0.00357   0.00524   0.00929
 Alpha virt. eigenvalues --    0.02339   0.03090   0.03376   0.04212   0.04445
 Alpha virt. eigenvalues --    0.05846   0.06789   0.06969   0.07211   0.08131
 Alpha virt. eigenvalues --    0.08369   0.08815   0.09604   0.09961   0.10359
 Alpha virt. eigenvalues --    0.10739   0.11371   0.12204   0.12278   0.13016
 Alpha virt. eigenvalues --    0.13130   0.13769   0.14422   0.14683   0.14809
 Alpha virt. eigenvalues --    0.15718   0.16006   0.16630   0.17168   0.18805
 Alpha virt. eigenvalues --    0.19113   0.19778   0.20126   0.20690   0.21345
 Alpha virt. eigenvalues --    0.22086   0.22292   0.22970   0.23431   0.24361
 Alpha virt. eigenvalues --    0.25437   0.25991   0.26255   0.26815   0.27090
 Alpha virt. eigenvalues --    0.27428   0.28572   0.29345   0.31304   0.31504
 Alpha virt. eigenvalues --    0.32271   0.33058   0.33822   0.34413   0.35516
 Alpha virt. eigenvalues --    0.35756   0.35865   0.36899   0.37388   0.37827
 Alpha virt. eigenvalues --    0.38662   0.39432   0.40104   0.40567   0.41886
 Alpha virt. eigenvalues --    0.42608   0.43681   0.44153   0.44595   0.45525
 Alpha virt. eigenvalues --    0.46038   0.46566   0.47177   0.47675   0.48128
 Alpha virt. eigenvalues --    0.49128   0.49316   0.50542   0.50974   0.52054
 Alpha virt. eigenvalues --    0.53269   0.53884   0.54760   0.54932   0.55640
 Alpha virt. eigenvalues --    0.57267   0.58553   0.59290   0.59835   0.60657
 Alpha virt. eigenvalues --    0.61282   0.62388   0.63663   0.64354   0.65259
 Alpha virt. eigenvalues --    0.65426   0.65764   0.67232   0.68167   0.69635
 Alpha virt. eigenvalues --    0.70157   0.71115   0.71869   0.73601   0.74459
 Alpha virt. eigenvalues --    0.75333   0.76221   0.76989   0.77475   0.78720
 Alpha virt. eigenvalues --    0.80391   0.80962   0.82223   0.82454   0.84422
 Alpha virt. eigenvalues --    0.85407   0.86311   0.87921   0.90426   0.91183
 Alpha virt. eigenvalues --    0.91631   0.93784   0.93885   0.94435   0.97772
 Alpha virt. eigenvalues --    0.99176   1.00837   1.02729   1.03754   1.03911
 Alpha virt. eigenvalues --    1.06510   1.07806   1.09032   1.10083   1.11869
 Alpha virt. eigenvalues --    1.12961   1.13772   1.16016   1.17100   1.18631
 Alpha virt. eigenvalues --    1.22476   1.23493   1.25412   1.26531   1.28650
 Alpha virt. eigenvalues --    1.30341   1.34379   1.35637   1.37371   1.39117
 Alpha virt. eigenvalues --    1.40800   1.42221   1.43819   1.47485   1.49651
 Alpha virt. eigenvalues --    1.52731   1.53541   1.56292   1.57505   1.58543
 Alpha virt. eigenvalues --    1.59442   1.62101   1.65899   1.66303   1.67216
 Alpha virt. eigenvalues --    1.68955   1.69708   1.72841   1.74474   1.77104
 Alpha virt. eigenvalues --    1.77944   1.79740   1.80500   1.81664   1.83588
 Alpha virt. eigenvalues --    1.84850   1.86840   1.87606   1.89325   1.90626
 Alpha virt. eigenvalues --    1.91785   1.94529   1.95415   1.98370   2.00785
 Alpha virt. eigenvalues --    2.02210   2.03405   2.05619   2.05815   2.06734
 Alpha virt. eigenvalues --    2.09561   2.10550   2.12535   2.14361   2.14815
 Alpha virt. eigenvalues --    2.17517   2.18376   2.21112   2.22429   2.23247
 Alpha virt. eigenvalues --    2.25197   2.27616   2.28008   2.29562   2.32879
 Alpha virt. eigenvalues --    2.34093   2.35259   2.37629   2.41179   2.44978
 Alpha virt. eigenvalues --    2.47929   2.48955   2.51227   2.52855   2.54290
 Alpha virt. eigenvalues --    2.57670   2.59183   2.61908   2.64787   2.66296
 Alpha virt. eigenvalues --    2.69695   2.72029   2.74357   2.78318   2.81900
 Alpha virt. eigenvalues --    2.88312   2.89041   2.92271   2.94882   3.02998
 Alpha virt. eigenvalues --    3.09663   3.12228   3.27562   3.32535   3.37221
 Alpha virt. eigenvalues --    3.39807   3.41497   3.41708   3.42588   3.44252
 Alpha virt. eigenvalues --    3.47688   3.53626   3.65570   3.71013   3.83543
 Alpha virt. eigenvalues --    4.02516
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.268549  -0.535552   0.221241  -0.244405   0.023344  -0.267225
     2  C   -0.535552   9.975882  -1.412676   0.362555   0.035550  -0.363946
     3  C    0.221241  -1.412676  12.135520  -2.546393  -0.077532  -0.705849
     4  C   -0.244405   0.362555  -2.546393   7.652622  -0.114050   0.013197
     5  O    0.023344   0.035550  -0.077532  -0.114050   8.331171   0.044944
     6  C   -0.267225  -0.363946  -0.705849   0.013197   0.044944   4.927096
     7  N    0.027799  -0.550129  -0.885615   0.232569   0.012201   0.267144
     8  O    0.032148   0.026951   0.066007  -0.045485   0.001914   0.014479
     9  H   -0.143487   0.393393  -1.893878   0.141894  -0.024605   0.189920
    10  H    0.058780  -2.111880   0.278551  -0.078657  -0.017194   0.262730
    11  H   -0.006385  -0.003445   0.060041  -0.095527   0.268634  -0.007997
    12  H   -0.027888   0.120443   0.244420  -0.061491   0.000306  -0.053719
    13  H    0.004731  -0.022308  -0.178532  -0.073642  -0.000591   0.038426
    14  H   -0.141207  -0.155652   0.018457   0.035786  -0.007844   0.274095
    15  H   -0.133989   0.261013  -0.275632   0.068343  -0.001186   0.149943
    16  H    0.166434   0.073530   0.036500   0.002031   0.006107  -0.066091
    17  H   -0.134536   0.402780  -0.161893   0.070228   0.003539  -0.029024
    18  H    0.467822  -0.283513  -0.089833   0.030343   0.000494  -0.076027
    19  H   -0.014232   0.196682   0.145981  -0.069211  -0.000292   0.018890
               7          8          9         10         11         12
     1  C    0.027799   0.032148  -0.143487   0.058780  -0.006385  -0.027888
     2  C   -0.550129   0.026951   0.393393  -2.111880  -0.003445   0.120443
     3  C   -0.885615   0.066007  -1.893878   0.278551   0.060041   0.244420
     4  C    0.232569  -0.045485   0.141894  -0.078657  -0.095527  -0.061491
     5  O    0.012201   0.001914  -0.024605  -0.017194   0.268634   0.000306
     6  C    0.267144   0.014479   0.189920   0.262730  -0.007997  -0.053719
     7  N    6.972447   0.010482   0.295755   0.117640  -0.002192   0.095260
     8  O    0.010482   8.511186  -0.036758  -0.008662  -0.040646   0.003369
     9  H    0.295755  -0.036758   2.717776   0.009762   0.013233  -0.106373
    10  H    0.117640  -0.008662   0.009762   3.255912   0.000571  -0.002446
    11  H   -0.002192  -0.040646   0.013233   0.000571   0.656281  -0.000390
    12  H    0.095260   0.003369  -0.106373  -0.002446  -0.000390   1.043464
    13  H    0.370077   0.009174   0.069700   0.006845  -0.001109  -0.132923
    14  H   -0.044057  -0.007806   0.010668   0.116915  -0.000025  -0.003262
    15  H    0.066205   0.020683   0.018589  -0.007100   0.002303  -0.000035
    16  H    0.000253  -0.003471   0.009549  -0.110588  -0.000102  -0.001265
    17  H    0.073481   0.000035  -0.053129  -0.101512   0.000773  -0.002433
    18  H   -0.006751   0.001618  -0.007044   0.145939   0.000747  -0.009695
    19  H   -0.021659   0.001917   0.021507  -0.100095  -0.001706   0.003588
              13         14         15         16         17         18
     1  C    0.004731  -0.141207  -0.133989   0.166434  -0.134536   0.467822
     2  C   -0.022308  -0.155652   0.261013   0.073530   0.402780  -0.283513
     3  C   -0.178532   0.018457  -0.275632   0.036500  -0.161893  -0.089833
     4  C   -0.073642   0.035786   0.068343   0.002031   0.070228   0.030343
     5  O   -0.000591  -0.007844  -0.001186   0.006107   0.003539   0.000494
     6  C    0.038426   0.274095   0.149943  -0.066091  -0.029024  -0.076027
     7  N    0.370077  -0.044057   0.066205   0.000253   0.073481  -0.006751
     8  O    0.009174  -0.007806   0.020683  -0.003471   0.000035   0.001618
     9  H    0.069700   0.010668   0.018589   0.009549  -0.053129  -0.007044
    10  H    0.006845   0.116915  -0.007100  -0.110588  -0.101512   0.145939
    11  H   -0.001109  -0.000025   0.002303  -0.000102   0.000773   0.000747
    12  H   -0.132923  -0.003262  -0.000035  -0.001265  -0.002433  -0.009695
    13  H    0.899307   0.021305  -0.004732   0.001522   0.003741   0.007164
    14  H    0.021305   1.902821  -0.281150  -0.509243   0.001209  -0.008818
    15  H   -0.004732  -0.281150   1.932623  -0.480229  -0.022470   0.005625
    16  H    0.001522  -0.509243  -0.480229   2.235728   0.029490  -0.009030
    17  H    0.003741   0.001209  -0.022470   0.029490   2.077220  -0.362834
    18  H    0.007164  -0.008818   0.005625  -0.009030  -0.362834   1.864012
    19  H   -0.006790  -0.024327   0.011319  -0.013236  -0.475053  -0.474932
              19
     1  C   -0.014232
     2  C    0.196682
     3  C    0.145981
     4  C   -0.069211
     5  O   -0.000292
     6  C    0.018890
     7  N   -0.021659
     8  O    0.001917
     9  H    0.021507
    10  H   -0.100095
    11  H   -0.001706
    12  H    0.003588
    13  H   -0.006790
    14  H   -0.024327
    15  H    0.011319
    16  H   -0.013236
    17  H   -0.475053
    18  H   -0.474932
    19  H    2.090373
 Mulliken charges:
               1
     1  C    1.378058
     2  C   -0.409678
     3  C    1.021114
     4  C    0.719293
     5  O   -0.484911
     6  C    1.369014
     7  N   -0.030910
     8  O   -0.557138
     9  H   -0.626473
    10  H   -0.715511
    11  H    0.156940
    12  H   -0.108931
    13  H   -0.011366
    14  H   -0.197864
    15  H   -0.330123
    16  H   -0.367889
    17  H   -0.319614
    18  H   -0.195287
    19  H   -0.288724
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.574432
     2  C   -1.125189
     3  C    0.394641
     4  C    0.719293
     5  O   -0.327970
     6  C    0.473138
     7  N   -0.151208
     8  O   -0.557138
 Electronic spatial extent (au):  <R**2>=           1051.1541
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.1768    Y=             -1.0576    Z=             -0.8344  Tot=              1.3587
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -51.4647   YY=            -49.2217   ZZ=            -50.4696
   XY=              1.5194   XZ=              3.2344   YZ=             -2.0320
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -1.0793   YY=              1.1636   ZZ=             -0.0843
   XY=              1.5194   XZ=              3.2344   YZ=             -2.0320
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -24.2480  YYY=              2.6727  ZZZ=             -4.3885  XYY=            -14.2110
  XXY=            -18.9665  XXZ=             -5.1596  XZZ=             -2.3504  YZZ=              3.4262
  YYZ=              1.1079  XYZ=              5.0947
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -768.6978 YYYY=           -297.6981 ZZZZ=           -272.1648 XXXY=             50.3885
 XXXZ=             23.8947 YYYX=              0.4961 YYYZ=             -1.3522 ZZZX=             -1.0077
 ZZZY=              0.0848 XXYY=           -171.3708 XXZZ=           -187.9332 YYZZ=            -93.7318
 XXYZ=             -5.4155 YYXZ=              5.0908 ZZXY=             -0.9389
 N-N= 4.078218756224D+02 E-N=-1.755056636963D+03  KE= 4.000141845657D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 20:07:54 2021, MaxMem=  5368709120 cpu:               2.9 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.09422957D-01-4.00661973D-01-3.20379229D-01
 Polarizability= 8.17941946D+01 2.44033481D-02 7.23061945D+01
                -2.39603674D+00 1.78836517D+00 6.98361564D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.3989    1.3995        0.4095    0.4094
 2     -1.3989   -1.3995       -0.9330   -0.9334       -5.7238   -5.7241
 3     -0.4095   -0.4094        7.3460    7.3477        0.9339    0.9334
 4      0.9330    0.9334        0.0000    0.0000       -0.4109   -0.4094
 5     -1.6222   -1.6236        0.4109    0.4094        1.4014    1.3995
 6     -0.9339   -0.9334       -1.4014   -1.3995       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -4.1984   -4.1984        1.2281    1.2281
 2      2.8001    2.8001        0.0000    0.0000        1.2281    1.2281
 3      2.8001    2.8001       -4.1984   -4.1984       -0.0000    0.0000
 4     -4.1984   -4.1984       -2.8001   -2.8001      -17.1724  -17.1724
 5     -1.2281   -1.2281       22.0432   22.0432        2.8001    2.8001
 6     -4.8708   -4.8708        1.2281    1.2281        4.1984    4.1984
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0397    0.0000       -5.6144   -5.5978       -1.6945   -1.6374
 2      5.5780    5.5978        3.7235    3.7334       22.7863   22.8965
 3      1.6385    1.6374      -29.3491  -29.3909       -3.6660   -3.7334
 4     -3.7761   -3.7334        0.0046    0.0000        1.6230    1.6374
 5      6.5013    6.4945       -1.5454   -1.6374       -5.5922   -5.5978
 6      3.6802    3.7334        5.5541    5.5978       -0.0150    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0039    0.0000        8.6260    8.6416       -6.7655   -6.7194
 2     -8.6273   -8.6416        9.1888    9.3055        8.4674    8.4781
 3      6.6962    6.7194       19.2184   19.2449       -9.4258   -9.3055
 4     -9.2925   -9.3055        0.0294    0.0000        6.6915    6.7194
 5    -27.8174  -27.7229       -6.7849   -6.7194        8.4727    8.6416
 6      9.3207    9.3055       -8.6366   -8.6416        0.0827    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -10.4559  -10.4959       21.7794   21.6547       11.5112   11.4240
 2    -31.7718  -31.7764       31.2389   31.1485       11.4295   11.4240
 3    -31.7755  -31.7764       21.7841   21.6547       16.3518   16.3164
 4     -9.4879   -9.4938       21.1927   21.2805       18.8340   18.8599
 5      4.7871    4.8923       35.2231   35.2370      -21.5020  -21.2805
 6    -54.1572  -54.0969       -4.9369   -4.8923        9.3960    9.4938
 Full mass-weighted force constant matrix:
 Low frequencies ---   -7.0707   -4.1717   -0.0009   -0.0008   -0.0007    4.2328
 Low frequencies ---   52.1256   82.8422  177.1609
 Diagonal vibrational polarizability:
       16.6796095      21.0953530      40.8895042
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     52.1220                82.8409               177.1609
 Red. masses --      5.5843                 3.4155                 3.3672
 Frc consts  --      0.0089                 0.0138                 0.0623
 IR Inten    --      1.1327                 0.6329                 0.1603
 RamAct Fr= 1--      0.9794                 0.5256                 0.7018
  Dep-P Fr= 1--      0.7381                 0.7497                 0.6347
  Dep-U Fr= 1--      0.8493                 0.8569                 0.7766
 Alpha2 Fr= 1--      0.0002                 0.0000                 0.0015
 Beta2  Fr= 1--      0.1386                 0.0751                 0.0908
 AlphaG Fr= 1--     -0.0011                 0.0000                -0.0004
 Gamma2 Fr= 1--     -0.1415                 0.2790                 0.2179
 Delta2 Fr= 1--     -0.2204                 0.2155                 0.1107
 Raman1 Fr= 1--       3.918                  2.102                  2.807
 ROA1   Fr= 1--     -20.637                 33.675                 24.464
 CID1   Fr= 1--      -5.268                 16.018                  8.715
 Raman2 Fr= 1--       1.664                  0.901                  1.090
 ROA2   Fr= 1--      -1.632                  4.971                  4.344
 CID2   Fr= 1--      -0.981                  5.519                  3.986
 Raman3 Fr= 1--       3.327                  1.802                  2.180
 ROA3   Fr= 1--     -20.637                 33.675                 24.464
 CID3   Fr= 1--      -6.202                 18.693                 11.223
 RC180  Fr= 1--       0.699                  0.714                  0.553
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.12  -0.01    -0.07  -0.16  -0.13    -0.04  -0.15   0.01
     2   6     0.01  -0.02  -0.10    -0.01   0.00   0.04    -0.10   0.04  -0.06
     3   6    -0.00   0.03   0.00     0.00   0.04   0.08    -0.01   0.14  -0.07
     4   6    -0.01   0.04   0.01    -0.03   0.00  -0.03     0.06   0.02  -0.00
     5   8     0.14  -0.14   0.30     0.09  -0.04  -0.02     0.19  -0.05   0.05
     6   6    -0.06  -0.23  -0.07     0.16   0.13   0.01    -0.20   0.03  -0.05
     7   7     0.03   0.01   0.06    -0.00   0.02   0.19     0.01   0.12  -0.01
     8   8    -0.13   0.21  -0.22    -0.15   0.01  -0.14     0.06  -0.10   0.09
     9   1    -0.05   0.09  -0.01     0.03   0.12   0.07    -0.03   0.18  -0.08
    10   1     0.04   0.00  -0.25    -0.11   0.01   0.17    -0.21   0.08  -0.07
    11   1     0.11  -0.09   0.26     0.04  -0.05  -0.12     0.27  -0.19   0.14
    12   1     0.01   0.05   0.11    -0.03   0.07   0.26    -0.06   0.16   0.08
    13   1     0.06  -0.02   0.08     0.02  -0.06   0.22     0.12   0.06   0.04
    14   1    -0.13  -0.25   0.10     0.33   0.11  -0.12     0.00  -0.05  -0.03
    15   1    -0.07  -0.37  -0.13     0.18   0.32   0.12    -0.28   0.25  -0.14
    16   1    -0.03  -0.25  -0.14     0.09   0.06   0.02    -0.40  -0.13   0.03
    17   1     0.06   0.31  -0.05    -0.19  -0.32  -0.09    -0.02  -0.15   0.01
    18   1     0.01   0.10   0.17    -0.00  -0.16  -0.31     0.13  -0.20   0.02
    19   1     0.02   0.05  -0.11    -0.05  -0.14  -0.11    -0.16  -0.27   0.05
                      4                      5                      6
                      A                      A                      A
 Frequencies --    185.3957               217.8623               256.6939
 Red. masses --      1.1142                 1.1045                 1.2139
 Frc consts  --      0.0226                 0.0309                 0.0471
 IR Inten    --     38.0562                 0.8827                 2.7907
 RamAct Fr= 1--      0.2857                 0.0430                 0.0906
  Dep-P Fr= 1--      0.4257                 0.2036                 0.6906
  Dep-U Fr= 1--      0.5972                 0.3384                 0.8170
 Alpha2 Fr= 1--      0.0019                 0.0006                 0.0001
 Beta2  Fr= 1--      0.0284                 0.0024                 0.0123
 AlphaG Fr= 1--     -0.0019                -0.0010                -0.0016
 Gamma2 Fr= 1--     -0.1656                -0.0028                -0.0574
 Delta2 Fr= 1--      0.1004                -0.0263                 0.0473
 Raman1 Fr= 1--       1.143                  0.172                  0.362
 ROA1   Fr= 1--     -12.682                 -1.106                 -3.997
 CID1   Fr= 1--     -11.097                 -6.430                -11.032
 Raman2 Fr= 1--       0.341                  0.029                  0.148
 ROA2   Fr= 1--      -4.777                  0.144                 -1.756
 CID2   Fr= 1--     -13.997                  4.948                -11.868
 Raman3 Fr= 1--       0.682                  0.058                  0.296
 ROA3   Fr= 1--     -12.682                 -1.106                 -3.997
 CID3   Fr= 1--     -18.582                -19.003                -13.503
 RC180  Fr= 1--       0.194                 -0.323                  0.634
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02   0.02    -0.00  -0.04   0.01     0.04   0.02   0.03
     2   6     0.01   0.02   0.00    -0.00   0.01   0.02     0.02   0.00  -0.02
     3   6    -0.01  -0.01   0.00    -0.00   0.01   0.02     0.00  -0.02  -0.02
     4   6    -0.01  -0.01   0.01    -0.01   0.00   0.01    -0.00  -0.02  -0.02
     5   8    -0.02   0.00  -0.01     0.02   0.00  -0.02    -0.06  -0.02   0.02
     6   6     0.01  -0.00   0.01     0.03   0.01   0.02     0.02   0.03  -0.03
     7   7     0.02  -0.01  -0.07    -0.01   0.02  -0.04    -0.04  -0.02   0.04
     8   8    -0.02  -0.00  -0.00    -0.03  -0.01   0.00     0.03   0.01  -0.01
     9   1    -0.03  -0.03   0.00    -0.01  -0.02   0.02     0.01   0.01  -0.02
    10   1     0.02   0.02   0.00    -0.02   0.02   0.02     0.03  -0.00  -0.03
    11   1    -0.03   0.02  -0.03     0.01  -0.01  -0.04    -0.05   0.03   0.05
    12   1    -0.52  -0.02   0.37    -0.06  -0.01  -0.02     0.11  -0.01  -0.07
    13   1     0.65  -0.12   0.17     0.06   0.05  -0.03    -0.26  -0.03  -0.02
    14   1     0.20  -0.08   0.04    -0.15   0.08   0.02     0.46  -0.11  -0.09
    15   1    -0.02   0.16  -0.00     0.09  -0.19   0.06    -0.07   0.50  -0.05
    16   1    -0.12  -0.14   0.02     0.20   0.15  -0.03    -0.32  -0.28   0.05
    17   1     0.03   0.04   0.02    -0.14   0.44  -0.07     0.04   0.28  -0.02
    18   1     0.03   0.02   0.03     0.30  -0.18   0.41     0.15  -0.05   0.28
    19   1     0.01   0.01   0.02    -0.15  -0.43  -0.34    -0.03  -0.16  -0.11
                      7                      8                      9
                      A                      A                      A
 Frequencies --    259.4070               293.4039               342.7100
 Red. masses --      2.2903                 2.8466                 3.2790
 Frc consts  --      0.0908                 0.1444                 0.2269
 IR Inten    --      1.8722                 5.6278                 7.9590
 RamAct Fr= 1--      0.4839                 0.2643                 1.4403
  Dep-P Fr= 1--      0.1937                 0.3644                 0.2670
  Dep-U Fr= 1--      0.3246                 0.5341                 0.4214
 Alpha2 Fr= 1--      0.0067                 0.0022                 0.0163
 Beta2  Fr= 1--      0.0262                 0.0235                 0.1012
 AlphaG Fr= 1--     -0.0103                -0.0022                -0.0034
 Gamma2 Fr= 1--     -0.1326                 0.0965                -0.0190
 Delta2 Fr= 1--     -0.0766                 0.0835                -0.1309
 Raman1 Fr= 1--       1.936                  1.057                  5.761
 ROA1   Fr= 1--     -15.181                 11.939                 -6.009
 CID1   Fr= 1--      -7.843                 11.293                 -1.043
 Raman2 Fr= 1--       0.314                  0.282                  1.214
 ROA2   Fr= 1--      -2.570                  1.648                  0.592
 CID2   Fr= 1--      -8.182                  5.838                  0.488
 Raman3 Fr= 1--       0.628                  0.565                  2.428
 ROA3   Fr= 1--     -15.181                 11.939                 -6.009
 CID3   Fr= 1--     -24.162                 21.143                 -2.475
 RC180  Fr= 1--      -0.351                  0.068                 -0.157
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.01   0.00    -0.13   0.14  -0.06    -0.18   0.05  -0.11
     2   6     0.02  -0.01  -0.07    -0.05  -0.05   0.02    -0.03   0.00   0.12
     3   6     0.01  -0.03  -0.06    -0.01  -0.05   0.02     0.04  -0.03  -0.01
     4   6     0.01  -0.03  -0.04    -0.02   0.00   0.02     0.10  -0.02  -0.09
     5   8    -0.09  -0.03   0.04     0.04  -0.01  -0.01     0.03  -0.02  -0.02
     6   6    -0.10   0.15  -0.08    -0.08   0.08   0.01    -0.05  -0.04   0.15
     7   7     0.01  -0.07   0.16     0.26  -0.11   0.01    -0.11  -0.01   0.02
     8   8     0.09   0.03  -0.02    -0.05  -0.05   0.02     0.22   0.08  -0.06
     9   1     0.01   0.09  -0.08    -0.04  -0.06   0.02     0.19  -0.06  -0.00
    10   1     0.06  -0.04  -0.02     0.02  -0.07   0.05    -0.04  -0.00   0.14
    11   1    -0.08   0.05   0.10     0.05  -0.07  -0.03     0.05   0.01   0.04
    12   1    -0.13   0.03   0.37     0.49   0.03  -0.06    -0.32  -0.08   0.13
    13   1     0.12  -0.29   0.24     0.26  -0.00  -0.02    -0.07  -0.13   0.06
    14   1    -0.43   0.28  -0.16     0.02   0.07  -0.09    -0.02  -0.08   0.23
    15   1    -0.08  -0.10  -0.12    -0.13   0.26  -0.02    -0.07  -0.04   0.10
    16   1     0.10   0.42   0.04    -0.19   0.05   0.13    -0.09  -0.11   0.13
    17   1     0.11   0.06  -0.01    -0.26   0.35  -0.09    -0.50   0.15  -0.11
    18   1     0.10  -0.04   0.09    -0.20   0.14   0.09    -0.17   0.05  -0.12
    19   1     0.01  -0.08   0.00    -0.03   0.12  -0.29    -0.05   0.02  -0.40
                     10                     11                     12
                      A                      A                      A
 Frequencies --    396.0426               440.6555               570.6859
 Red. masses --      2.4307                 3.7985                 1.7697
 Frc consts  --      0.2246                 0.4346                 0.3396
 IR Inten    --      1.3089                16.4141                40.2788
 RamAct Fr= 1--      0.4687                 2.5007                 1.9437
  Dep-P Fr= 1--      0.3594                 0.1552                 0.2298
  Dep-U Fr= 1--      0.5287                 0.2687                 0.3737
 Alpha2 Fr= 1--      0.0040                 0.0382                 0.0244
 Beta2  Fr= 1--      0.0413                 0.1120                 0.1211
 AlphaG Fr= 1--     -0.0201                 0.0135                 0.0255
 Gamma2 Fr= 1--      0.1125                 0.2406                -1.0738
 Delta2 Fr= 1--     -0.0717                -0.0796                 0.1770
 Raman1 Fr= 1--       1.875                 10.003                  7.775
 ROA1   Fr= 1--       8.505                 20.553                -97.424
 CID1   Fr= 1--       4.536                  2.055                -12.530
 Raman2 Fr= 1--       0.496                  1.344                  1.453
 ROA2   Fr= 1--       3.273                  6.412                -27.188
 CID2   Fr= 1--       6.603                  4.772                -18.717
 Raman3 Fr= 1--       0.991                  2.687                  2.905
 ROA3   Fr= 1--       8.505                 20.553                -97.424
 CID3   Fr= 1--       8.579                  7.648                -33.534
 RC180  Fr= 1--       0.057                 -0.463                 -0.253
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12   0.03   0.16    -0.04   0.01   0.07     0.06   0.00  -0.03
     2   6    -0.16  -0.02  -0.00    -0.05  -0.17  -0.06     0.04   0.05   0.02
     3   6    -0.06   0.05  -0.10    -0.04  -0.12   0.04    -0.05  -0.03  -0.09
     4   6    -0.02   0.02  -0.11     0.04   0.06   0.12    -0.09   0.09  -0.06
     5   8    -0.01  -0.05   0.01     0.23   0.12  -0.07     0.03   0.06  -0.03
     6   6     0.15  -0.01  -0.03     0.00   0.04  -0.11     0.01  -0.00   0.06
     7   7     0.05   0.00   0.01    -0.14  -0.12  -0.00    -0.02  -0.10   0.01
     8   8     0.08  -0.01  -0.01    -0.00   0.13   0.05    -0.04   0.02   0.05
     9   1     0.04   0.07  -0.10    -0.18  -0.14   0.04    -0.00  -0.07  -0.08
    10   1    -0.18  -0.01   0.01    -0.02  -0.17  -0.05     0.11   0.02   0.06
    11   1     0.10  -0.13   0.21     0.15  -0.06  -0.37     0.44  -0.51   0.56
    12   1     0.07   0.11   0.09    -0.30  -0.22   0.03     0.05   0.01   0.07
    13   1     0.10  -0.08   0.05    -0.14  -0.16   0.00    -0.07  -0.22   0.03
    14   1     0.20   0.00  -0.16     0.02   0.09  -0.37     0.01  -0.04   0.19
    15   1     0.33  -0.06   0.28     0.03   0.17  -0.01    -0.01  -0.06   0.01
    16   1     0.33   0.03  -0.29     0.03   0.14   0.01    -0.02  -0.06   0.01
    17   1     0.09   0.06   0.14     0.12   0.13   0.03     0.01  -0.05  -0.02
    18   1    -0.22   0.04   0.26    -0.22   0.04   0.23     0.16  -0.02  -0.09
    19   1    -0.14   0.08   0.28     0.01   0.09   0.10     0.02  -0.06  -0.04
                     13                     14                     15
                      A                      A                      A
 Frequencies --    609.4360               656.4943               717.4688
 Red. masses --      1.9777                 2.7922                 3.1937
 Frc consts  --      0.4328                 0.7090                 0.9686
 IR Inten    --     41.0083                26.8780                27.8350
 RamAct Fr= 1--      1.1300                 2.7754                16.8090
  Dep-P Fr= 1--      0.7428                 0.5621                 0.0268
  Dep-U Fr= 1--      0.8524                 0.7197                 0.0523
 Alpha2 Fr= 1--      0.0001                 0.0099                 0.3507
 Beta2  Fr= 1--      0.1605                 0.3329                 0.1465
 AlphaG Fr= 1--      0.0004                -0.0227                 0.1537
 Gamma2 Fr= 1--     -0.4900                -0.2610                -0.1288
 Delta2 Fr= 1--      0.3565                 0.1163                -0.0069
 Raman1 Fr= 1--       4.520                 11.102                 67.236
 ROA1   Fr= 1--     -35.631                -21.332                -12.584
 CID1   Fr= 1--      -7.883                 -1.921                 -0.187
 Raman2 Fr= 1--       1.927                  3.995                  1.758
 ROA2   Fr= 1--     -14.612                 -7.193                 -3.036
 CID2   Fr= 1--      -7.585                 -1.801                 -1.727
 Raman3 Fr= 1--       3.853                  7.990                  3.516
 ROA3   Fr= 1--     -35.631                -21.332                -12.584
 CID3   Fr= 1--      -9.247                 -2.670                 -3.579
 RC180  Fr= 1--       0.705                  0.439                 -0.895
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.00    -0.01   0.00  -0.00    -0.10   0.01   0.05
     2   6    -0.04   0.19  -0.01     0.00  -0.01   0.02    -0.05   0.17  -0.03
     3   6    -0.09  -0.02  -0.05     0.06  -0.01  -0.19     0.07  -0.05   0.07
     4   6    -0.03  -0.04   0.05     0.05   0.11  -0.09     0.21  -0.09   0.12
     5   8     0.05  -0.06  -0.02     0.05   0.12   0.15    -0.04   0.14  -0.00
     6   6     0.01   0.01   0.02     0.01  -0.00   0.05    -0.02   0.02  -0.10
     7   7     0.02  -0.11   0.01    -0.03  -0.07   0.00     0.01  -0.09   0.00
     8   8     0.04   0.07   0.03    -0.09  -0.15   0.01    -0.03  -0.07  -0.12
     9   1    -0.16  -0.05  -0.04     0.12  -0.03  -0.18    -0.07  -0.12   0.08
    10   1     0.04   0.15   0.04     0.02  -0.02   0.06    -0.03   0.16  -0.02
    11   1    -0.26   0.12  -0.62    -0.28   0.68  -0.26     0.24   0.08   0.60
    12   1     0.22   0.06   0.01    -0.07   0.01   0.11    -0.03  -0.17  -0.04
    13   1     0.00  -0.12   0.01    -0.20  -0.34   0.02    -0.07  -0.06  -0.03
    14   1     0.06  -0.08   0.28     0.04  -0.02   0.09     0.04  -0.05   0.11
    15   1     0.04  -0.12   0.04     0.03  -0.04   0.08     0.02  -0.09  -0.06
    16   1    -0.00  -0.14  -0.23     0.02  -0.03  -0.02    -0.01  -0.10  -0.33
    17   1     0.02  -0.13   0.02    -0.06   0.02  -0.00    -0.08  -0.11   0.07
    18   1     0.25  -0.05  -0.10    -0.03   0.01  -0.00     0.10  -0.04  -0.03
    19   1    -0.17  -0.13   0.11     0.03   0.02  -0.06    -0.28  -0.11   0.17
                     16                     17                     18
                      A                      A                      A
 Frequencies --    837.6970               844.6302               911.1664
 Red. masses --      3.1109                 2.1743                 1.9172
 Frc consts  --      1.2862                 0.9139                 0.9378
 IR Inten    --      9.1368               105.1757                45.4285
 RamAct Fr= 1--      6.1652                 1.8973                 3.0462
  Dep-P Fr= 1--      0.0665                 0.5646                 0.6993
  Dep-U Fr= 1--      0.1247                 0.7217                 0.8230
 Alpha2 Fr= 1--      0.1171                 0.0067                 0.0027
 Beta2  Fr= 1--      0.1281                 0.2282                 0.4179
 AlphaG Fr= 1--     -0.0232                -0.0131                -0.0011
 Gamma2 Fr= 1--     -0.1391                 0.1790                 0.8337
 Delta2 Fr= 1--     -0.2182                 0.4970                 0.9913
 Raman1 Fr= 1--      24.661                  7.589                 12.185
 ROA1   Fr= 1--     -20.339                 33.089                111.758
 CID1   Fr= 1--      -0.825                  4.360                  9.172
 Raman2 Fr= 1--       1.537                  2.739                  5.014
 ROA2   Fr= 1--      -1.593                  0.320                 12.079
 CID2   Fr= 1--      -1.036                  0.117                  2.409
 Raman3 Fr= 1--       3.074                  5.477                 10.029
 ROA3   Fr= 1--     -20.339                 33.089                111.758
 CID3   Fr= 1--      -6.616                  6.041                 11.144
 RC180  Fr= 1--      -0.751                  0.443                  0.646
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.03  -0.05     0.05   0.01  -0.04    -0.08  -0.05   0.09
     2   6    -0.04  -0.09  -0.07    -0.02  -0.02  -0.01     0.13  -0.00   0.06
     3   6    -0.10   0.06  -0.17    -0.14   0.04   0.13     0.06   0.05  -0.09
     4   6     0.14  -0.13   0.19     0.03   0.04  -0.11     0.01  -0.02   0.06
     5   8    -0.02   0.04  -0.04     0.02   0.05   0.04    -0.01  -0.01  -0.02
     6   6    -0.00   0.00   0.19     0.00  -0.01   0.02     0.04   0.01  -0.10
     7   7    -0.01   0.04   0.00    -0.11  -0.11  -0.01    -0.10  -0.04  -0.00
     8   8    -0.02   0.02  -0.07     0.06  -0.06  -0.05    -0.03   0.03   0.01
     9   1    -0.45   0.11  -0.18    -0.09   0.08   0.12     0.08   0.05  -0.09
    10   1    -0.11  -0.07  -0.00    -0.01  -0.01  -0.05     0.03   0.00   0.18
    11   1     0.07  -0.01   0.13     0.00   0.28   0.13    -0.00  -0.09  -0.04
    12   1     0.23   0.35   0.09     0.44   0.17  -0.16     0.41   0.36  -0.02
    13   1     0.05  -0.11   0.05     0.58   0.37   0.07     0.36   0.04   0.10
    14   1     0.04   0.01   0.09    -0.02   0.02  -0.06    -0.06  -0.02   0.13
    15   1     0.07   0.04   0.35    -0.01   0.05   0.02    -0.09  -0.10  -0.38
    16   1     0.06   0.04   0.15     0.01   0.05   0.12    -0.08  -0.06   0.00
    17   1     0.18   0.14  -0.09     0.14  -0.01  -0.04    -0.32   0.04   0.09
    18   1    -0.17   0.03   0.09     0.09  -0.01  -0.01    -0.26   0.01   0.05
    19   1     0.21   0.11  -0.09    -0.01  -0.02   0.04     0.14   0.07  -0.13
                     19                     20                     21
                      A                      A                      A
 Frequencies --    941.0997               960.0255               978.1314
 Red. masses --      1.2075                 2.0674                 1.7240
 Frc consts  --      0.6301                 1.1227                 0.9718
 IR Inten    --      6.8293                17.1140                 6.3616
 RamAct Fr= 1--      0.8165                 6.1447                 2.6079
  Dep-P Fr= 1--      0.3075                 0.6313                 0.6568
  Dep-U Fr= 1--      0.4704                 0.7740                 0.7929
 Alpha2 Fr= 1--      0.0082                 0.0132                 0.0043
 Beta2  Fr= 1--      0.0640                 0.7927                 0.3446
 AlphaG Fr= 1--     -0.0116                -0.0199                -0.0124
 Gamma2 Fr= 1--      0.1506                -0.9317                 0.5405
 Delta2 Fr= 1--      0.2672                -0.1801                 0.2926
 Raman1 Fr= 1--       3.266                 24.579                 10.432
 ROA1   Fr= 1--      23.011                -95.209                 61.250
 CID1   Fr= 1--       7.045                 -3.874                  5.872
 Raman2 Fr= 1--       0.768                  9.512                  4.135
 ROA2   Fr= 1--       1.478                -20.921                 10.631
 CID2   Fr= 1--       1.924                 -2.199                  2.571
 Raman3 Fr= 1--       1.536                 19.024                  8.271
 ROA3   Fr= 1--      23.011                -95.209                 61.250
 CID3   Fr= 1--      14.979                 -5.005                  7.405
 RC180  Fr= 1--      -0.059                  0.548                  0.586
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.05  -0.05     0.08  -0.03  -0.06    -0.12   0.03  -0.04
     2   6     0.01  -0.00  -0.03    -0.11   0.03  -0.01     0.02   0.02  -0.10
     3   6    -0.03  -0.02   0.03     0.20   0.04   0.02     0.11   0.03  -0.02
     4   6    -0.01   0.01  -0.03    -0.02   0.02   0.02    -0.01   0.01   0.02
     5   8     0.00   0.00   0.01    -0.02  -0.03  -0.01    -0.01  -0.02  -0.01
     6   6     0.05   0.06   0.01    -0.07   0.03   0.02     0.07  -0.04   0.10
     7   7     0.02   0.01   0.00    -0.07  -0.09  -0.01    -0.04  -0.05  -0.01
     8   8     0.01  -0.01  -0.00    -0.03   0.02   0.04    -0.02   0.02   0.02
     9   1    -0.07  -0.00   0.03     0.34   0.11   0.01     0.19   0.06  -0.02
    10   1    -0.14  -0.03   0.32    -0.41   0.13   0.01    -0.01   0.08  -0.32
    11   1     0.00   0.03   0.02    -0.01  -0.12  -0.05    -0.01  -0.08  -0.04
    12   1    -0.09  -0.08  -0.00     0.11  -0.09  -0.13     0.07  -0.00  -0.04
    13   1    -0.07   0.02  -0.02     0.19   0.08   0.02     0.08  -0.02   0.01
    14   1    -0.06  -0.02   0.48     0.11  -0.04   0.04    -0.13   0.08  -0.08
    15   1    -0.09  -0.18  -0.33     0.11  -0.03   0.34    -0.08   0.13  -0.12
    16   1    -0.14  -0.14  -0.01     0.06  -0.04  -0.35    -0.00   0.14   0.53
    17   1     0.39   0.19  -0.12     0.18   0.18  -0.11     0.28  -0.06  -0.04
    18   1    -0.29  -0.01   0.30    -0.20   0.04   0.09     0.09  -0.05   0.11
    19   1    -0.00   0.11   0.15     0.26   0.16  -0.10    -0.42  -0.11   0.32
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1076.0223              1096.4324              1130.8188
 Red. masses --      1.5858                 1.6217                 2.9467
 Frc consts  --      1.0818                 1.1487                 2.2201
 IR Inten    --     18.4083                 9.0902               255.0668
 RamAct Fr= 1--      4.1923                 6.0193                 2.8588
  Dep-P Fr= 1--      0.3091                 0.5392                 0.7465
  Dep-U Fr= 1--      0.4722                 0.7006                 0.8549
 Alpha2 Fr= 1--      0.0418                 0.0244                 0.0002
 Beta2  Fr= 1--      0.3299                 0.7029                 0.4073
 AlphaG Fr= 1--     -0.0260                -0.0172                 0.0030
 Gamma2 Fr= 1--      0.6470                -1.5167                 0.1767
 Delta2 Fr= 1--      0.4205                -0.7510                -0.1239
 Raman1 Fr= 1--      16.769                 24.077                 11.435
 ROA1   Fr= 1--      75.569               -169.630                 12.999
 CID1   Fr= 1--       4.506                 -7.045                  1.137
 Raman2 Fr= 1--       3.959                  8.435                  4.888
 ROA2   Fr= 1--      12.164                -30.392                  5.233
 CID2   Fr= 1--       3.073                 -3.603                  1.071
 Raman3 Fr= 1--       7.918                 16.869                  9.776
 ROA3   Fr= 1--      75.569               -169.630                 12.999
 CID3   Fr= 1--       9.544                -10.056                  1.330
 RC180  Fr= 1--      -0.056                  0.401                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.05  -0.01    -0.02  -0.04   0.09    -0.00  -0.05   0.02
     2   6     0.03  -0.09  -0.07     0.07   0.01  -0.13     0.00   0.07  -0.05
     3   6     0.06  -0.10  -0.03    -0.01   0.08   0.03    -0.00  -0.07  -0.01
     4   6    -0.01   0.01  -0.00    -0.01   0.02  -0.02    -0.15  -0.21  -0.04
     5   8     0.00   0.00   0.00    -0.00  -0.02  -0.01     0.02   0.21   0.12
     6   6    -0.05   0.08   0.04     0.01   0.03   0.06     0.01  -0.02   0.02
     7   7    -0.04   0.07   0.03     0.03  -0.09  -0.00     0.02   0.04   0.02
     8   8    -0.01   0.00   0.01     0.01  -0.00   0.00     0.06  -0.04  -0.06
     9   1    -0.02   0.18  -0.07    -0.33   0.49  -0.03     0.27   0.16  -0.04
    10   1     0.43  -0.25   0.09     0.07   0.03  -0.22    -0.01   0.08  -0.13
    11   1     0.01  -0.05  -0.02    -0.00   0.06   0.04     0.01  -0.63  -0.43
    12   1     0.08   0.01  -0.11    -0.22  -0.42  -0.12    -0.00  -0.04  -0.05
    13   1     0.23   0.31   0.05    -0.08   0.12  -0.08     0.09   0.20   0.00
    14   1     0.16  -0.06   0.26     0.03  -0.00   0.17    -0.03   0.02  -0.04
    15   1     0.09  -0.12   0.23     0.02  -0.02   0.06    -0.01   0.06   0.01
    16   1    -0.00  -0.12  -0.38     0.00  -0.01   0.00     0.03   0.04   0.09
    17   1     0.02  -0.12   0.02    -0.36   0.01   0.10    -0.08   0.08   0.00
    18   1     0.18  -0.03  -0.03    -0.18   0.02  -0.06    -0.19   0.01   0.03
    19   1    -0.26  -0.13   0.12     0.18   0.03  -0.18     0.14   0.06  -0.07
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1169.7343              1210.9398              1241.3933
 Red. masses --      1.8268                 1.9872                 1.8436
 Frc consts  --      1.4727                 1.7169                 1.6739
 IR Inten    --      3.4251                 0.3525                 9.5964
 RamAct Fr= 1--      5.2578                 2.6130                 2.1852
  Dep-P Fr= 1--      0.4472                 0.5961                 0.4282
  Dep-U Fr= 1--      0.6181                 0.7469                 0.5997
 Alpha2 Fr= 1--      0.0326                 0.0075                 0.0146
 Beta2  Fr= 1--      0.5416                 0.3253                 0.2184
 AlphaG Fr= 1--     -0.0368                 0.0004                -0.0058
 Gamma2 Fr= 1--     -0.0429                -0.3576                -0.0604
 Delta2 Fr= 1--     -0.2356                 0.5306                 0.1043
 Raman1 Fr= 1--      21.031                 10.452                  8.741
 ROA1   Fr= 1--     -11.659                -17.350                 -2.458
 CID1   Fr= 1--      -0.554                 -1.660                 -0.281
 Raman2 Fr= 1--       6.499                  3.904                  2.621
 ROA2   Fr= 1--       0.855                -12.826                 -2.284
 CID2   Fr= 1--       0.132                 -3.286                 -0.871
 Raman3 Fr= 1--      12.999                  7.807                  5.242
 ROA3   Fr= 1--     -11.659                -17.350                 -2.458
 CID3   Fr= 1--      -0.897                 -2.222                 -0.469
 RC180  Fr= 1--       0.236                  0.494                  0.199
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.09  -0.02    -0.08  -0.05  -0.08    -0.02   0.04   0.01
     2   6    -0.10  -0.10   0.10     0.17   0.04   0.10     0.04  -0.12  -0.03
     3   6    -0.01   0.12  -0.05    -0.05   0.11  -0.01     0.02   0.15   0.11
     4   6     0.01  -0.06   0.05    -0.01  -0.03   0.00    -0.02  -0.02  -0.02
     5   8    -0.01   0.03   0.01    -0.00   0.01   0.00    -0.02   0.03   0.03
     6   6     0.05   0.00  -0.05    -0.11  -0.05  -0.03    -0.02   0.08   0.00
     7   7     0.01  -0.07  -0.00     0.02  -0.05  -0.02    -0.00  -0.03  -0.08
     8   8    -0.00   0.01  -0.01     0.00   0.00  -0.00     0.02  -0.02  -0.02
     9   1     0.22   0.50  -0.10     0.01   0.26  -0.02     0.01  -0.25   0.17
    10   1    -0.03  -0.16   0.33     0.32  -0.03   0.22    -0.06  -0.04  -0.24
    11   1    -0.01  -0.11  -0.07    -0.00  -0.03  -0.02    -0.02  -0.28  -0.18
    12   1    -0.16  -0.32  -0.11    -0.09  -0.12   0.00     0.09   0.32   0.18
    13   1    -0.01   0.14  -0.06    -0.08  -0.05  -0.05    -0.20  -0.52  -0.01
    14   1    -0.09   0.01   0.09     0.15  -0.05  -0.35     0.11  -0.03   0.25
    15   1    -0.05  -0.06  -0.25     0.07   0.08   0.31     0.05  -0.15   0.06
    16   1    -0.10  -0.07   0.09     0.15   0.09  -0.23    -0.06  -0.08  -0.20
    17   1     0.05  -0.13   0.02     0.32   0.09  -0.12    -0.02  -0.11   0.03
    18   1     0.36   0.00  -0.14    -0.15  -0.06   0.29     0.13  -0.01  -0.03
    19   1    -0.12  -0.10   0.01    -0.13   0.08   0.24    -0.11  -0.07   0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1277.7713              1340.2608              1368.8257
 Red. masses --      1.2840                 1.7933                 1.3765
 Frc consts  --      1.2352                 1.8980                 1.5196
 IR Inten    --      1.0357                26.3123                 2.4516
 RamAct Fr= 1--      9.3493                 3.9442                 5.6820
  Dep-P Fr= 1--      0.6697                 0.6644                 0.5548
  Dep-U Fr= 1--      0.8022                 0.7983                 0.7137
 Alpha2 Fr= 1--      0.0133                 0.0060                 0.0211
 Beta2  Fr= 1--      1.2499                 0.5248                 0.6758
 AlphaG Fr= 1--     -0.0024                 0.0143                 0.0857
 Gamma2 Fr= 1--     -2.1659                 1.4373                 0.1475
 Delta2 Fr= 1--     -0.9272                -0.7027                 0.0206
 Raman1 Fr= 1--      37.397                 15.777                 22.728
 ROA1   Fr= 1--    -237.601                115.497                 14.820
 CID1   Fr= 1--      -6.353                  7.321                  0.652
 Raman2 Fr= 1--      14.999                  6.298                  8.110
 ROA2   Fr= 1--     -44.565                 40.118                  3.375
 CID2   Fr= 1--      -2.971                  6.370                  0.416
 Raman3 Fr= 1--      29.998                 12.595                 16.220
 ROA3   Fr= 1--    -237.601                115.497                 14.820
 CID3   Fr= 1--      -7.920                  9.170                  0.914
 RC180  Fr= 1--       0.604                  0.597                  0.427
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03   0.01     0.01   0.02   0.01     0.01  -0.06   0.00
     2   6     0.01  -0.01  -0.03    -0.01   0.00  -0.04    -0.14   0.05  -0.01
     3   6    -0.10   0.02  -0.01     0.09  -0.02   0.05     0.04   0.04   0.04
     4   6    -0.01  -0.07   0.03    -0.14  -0.15  -0.04     0.01   0.02   0.00
     5   8     0.03  -0.01  -0.03     0.06   0.02  -0.02    -0.01  -0.01   0.00
     6   6    -0.00   0.04   0.01    -0.00  -0.03   0.00     0.03  -0.02  -0.01
     7   7     0.01  -0.00   0.00    -0.01   0.01  -0.05    -0.01  -0.01  -0.03
     8   8    -0.02   0.04   0.02     0.00   0.04   0.03     0.00  -0.01  -0.00
     9   1     0.79  -0.08   0.02    -0.23   0.33  -0.00    -0.02   0.02   0.05
    10   1     0.17  -0.01  -0.29    -0.07  -0.06   0.38     0.86  -0.26   0.01
    11   1     0.03   0.37   0.22     0.06   0.55   0.35    -0.01  -0.08  -0.05
    12   1    -0.04  -0.03   0.01     0.10   0.25   0.09     0.05   0.10   0.03
    13   1    -0.02   0.04  -0.02    -0.07  -0.30   0.01    -0.03  -0.17   0.01
    14   1     0.03  -0.01   0.14    -0.03   0.00  -0.07    -0.12   0.03   0.02
    15   1     0.03  -0.05   0.03    -0.01   0.05   0.01    -0.01   0.07  -0.04
    16   1    -0.03  -0.03  -0.05     0.03   0.02   0.03    -0.04  -0.02   0.09
    17   1    -0.01   0.02  -0.00    -0.05  -0.03   0.02     0.04   0.16  -0.05
    18   1    -0.08  -0.00   0.01     0.03   0.02  -0.04    -0.10  -0.01  -0.04
    19   1     0.05   0.01  -0.04    -0.05  -0.05   0.00     0.15   0.09  -0.03
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1376.7611              1402.9148              1416.8904
 Red. masses --      1.4342                 1.2664                 1.3358
 Frc consts  --      1.6017                 1.4686                 1.5800
 IR Inten    --      3.9149                 8.1929                 0.1693
 RamAct Fr= 1--      3.8498                 0.3585                 3.0160
  Dep-P Fr= 1--      0.7132                 0.6482                 0.5183
  Dep-U Fr= 1--      0.8326                 0.7866                 0.6828
 Alpha2 Fr= 1--      0.0024                 0.0007                 0.0136
 Beta2  Fr= 1--      0.5342                 0.0470                 0.3432
 AlphaG Fr= 1--     -0.0047                -0.0017                 0.0314
 Gamma2 Fr= 1--     -1.4353                -0.2154                 0.6866
 Delta2 Fr= 1--      0.3224                 0.0259                 0.0583
 Raman1 Fr= 1--      15.399                  1.434                 12.064
 ROA1   Fr= 1--    -127.469                -19.846                 67.778
 CID1   Fr= 1--      -8.278                -13.841                  5.618
 Raman2 Fr= 1--       6.411                  0.564                  4.118
 ROA2   Fr= 1--     -37.026                 -5.376                 16.012
 CID2   Fr= 1--      -5.776                 -9.534                  3.888
 Raman3 Fr= 1--      12.821                  1.128                  8.237
 ROA3   Fr= 1--    -127.469                -19.846                 67.778
 CID3   Fr= 1--      -9.942                -17.596                  8.229
 RC180  Fr= 1--       0.665                  0.573                  0.366
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02   0.03    -0.10  -0.01   0.06     0.05   0.00  -0.02
     2   6     0.02   0.02  -0.15     0.02   0.00  -0.05    -0.00   0.01  -0.00
     3   6    -0.04   0.02   0.03    -0.01   0.01   0.01    -0.04  -0.08   0.04
     4   6     0.04   0.05   0.01     0.00   0.00  -0.00     0.05   0.05   0.02
     5   8    -0.02  -0.01   0.00    -0.00  -0.00   0.00    -0.02  -0.01   0.00
     6   6    -0.02  -0.05  -0.00     0.00  -0.00   0.08     0.02   0.01   0.08
     7   7     0.00  -0.00  -0.01     0.00  -0.00   0.00     0.00   0.01  -0.05
     8   8    -0.00  -0.01  -0.01    -0.00   0.00   0.00    -0.01  -0.01  -0.00
     9   1     0.36  -0.14   0.06     0.06  -0.09   0.02     0.23   0.54  -0.03
    10   1    -0.06  -0.13   0.75    -0.03  -0.03   0.17    -0.06   0.04  -0.04
    11   1    -0.02  -0.15  -0.09    -0.00  -0.01  -0.00    -0.01  -0.12  -0.07
    12   1     0.00   0.02   0.01    -0.00  -0.00   0.00     0.05   0.23   0.12
    13   1    -0.03  -0.06  -0.00     0.00   0.01  -0.00    -0.09  -0.18  -0.03
    14   1     0.01  -0.06   0.02     0.02   0.08  -0.30    -0.04   0.13  -0.35
    15   1     0.05   0.13   0.20    -0.15  -0.04  -0.23    -0.16  -0.08  -0.29
    16   1     0.08   0.14   0.17     0.07  -0.10  -0.26     0.01  -0.18  -0.30
    17   1    -0.16  -0.04   0.05     0.41   0.11  -0.01    -0.17  -0.03   0.01
    18   1    -0.09   0.07  -0.08     0.41  -0.12  -0.28    -0.18   0.06   0.08
    19   1    -0.08  -0.13  -0.04     0.31   0.21  -0.31    -0.12  -0.10   0.10
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1428.1330              1488.0580              1497.4319
 Red. masses --      1.3186                 1.0412                 1.0499
 Frc consts  --      1.5846                 1.3584                 1.3871
 IR Inten    --     10.9243                 1.4656                 2.2556
 RamAct Fr= 1--      1.9194                 7.8246                 2.3587
  Dep-P Fr= 1--      0.5462                 0.7497                 0.7354
  Dep-U Fr= 1--      0.7065                 0.8570                 0.8475
 Alpha2 Fr= 1--      0.0075                 0.0000                 0.0006
 Beta2  Fr= 1--      0.2260                 1.1176                 0.3332
 AlphaG Fr= 1--      0.0077                 0.0011                 0.0041
 Gamma2 Fr= 1--     -0.2400                 0.2298                 0.0777
 Delta2 Fr= 1--      0.3471                -0.3760                 0.1050
 Raman1 Fr= 1--       7.677                 31.299                  9.435
 ROA1   Fr= 1--     -11.936                 10.031                 10.818
 CID1   Fr= 1--      -1.555                  0.320                  1.147
 Raman2 Fr= 1--       2.712                 13.411                  3.998
 ROA2   Fr= 1--      -8.538                  8.524                  1.025
 CID2   Fr= 1--      -3.148                  0.636                  0.256
 Raman3 Fr= 1--       5.424                 26.822                  7.996
 ROA3   Fr= 1--     -11.936                 10.031                 10.818
 CID3   Fr= 1--      -2.201                  0.374                  1.353
 RC180  Fr= 1--       0.413                  0.714                  0.695
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.01   0.02     0.01  -0.04  -0.01    -0.01   0.00  -0.04
     2   6     0.01   0.01   0.02     0.01  -0.00  -0.02     0.00  -0.01  -0.03
     3   6    -0.03  -0.09   0.03    -0.00   0.00  -0.00    -0.00   0.00   0.00
     4   6     0.03   0.04   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
     5   8    -0.01  -0.01   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6    -0.01  -0.01  -0.09     0.00   0.03  -0.00     0.02  -0.02   0.01
     7   7     0.00   0.01  -0.04     0.00   0.00   0.00     0.00  -0.00   0.00
     8   8    -0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     9   1     0.12   0.52  -0.04     0.02  -0.03   0.00     0.03  -0.04   0.01
    10   1    -0.11   0.07  -0.09    -0.05  -0.01   0.08    -0.03  -0.02   0.03
    11   1    -0.01  -0.07  -0.04     0.00   0.00   0.00    -0.00  -0.00  -0.00
    12   1     0.06   0.20   0.09    -0.00  -0.01  -0.01    -0.00   0.01   0.01
    13   1    -0.08  -0.16  -0.02     0.01   0.01   0.00    -0.00   0.02  -0.00
    14   1     0.01  -0.11   0.33     0.10   0.04  -0.23    -0.35   0.09   0.12
    15   1     0.17   0.05   0.29     0.13  -0.39   0.11    -0.02   0.36   0.05
    16   1    -0.06   0.15   0.30    -0.26  -0.14   0.19     0.04  -0.10  -0.20
    17   1     0.22   0.06  -0.02    -0.30   0.42  -0.07    -0.32  -0.18   0.03
    18   1     0.26  -0.09  -0.09     0.23  -0.07  -0.17     0.33  -0.16   0.41
    19   1     0.18   0.17  -0.12    -0.00   0.26   0.44     0.20   0.38   0.20
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1506.6994              1516.2041              1674.8605
 Red. masses --      1.0433                 1.0564                 1.0875
 Frc consts  --      1.3954                 1.4308                 1.7974
 IR Inten    --      8.9641                 6.9553                32.7693
 RamAct Fr= 1--      3.0237                 3.4168                 2.6547
  Dep-P Fr= 1--      0.7318                 0.7488                 0.5365
  Dep-U Fr= 1--      0.8451                 0.8564                 0.6983
 Alpha2 Fr= 1--      0.0009                 0.0001                 0.0109
 Beta2  Fr= 1--      0.4259                 0.4877                 0.3090
 AlphaG Fr= 1--      0.0038                -0.0001                -0.0126
 Gamma2 Fr= 1--     -0.3605                -0.6092                -0.2866
 Delta2 Fr= 1--      0.3341                -0.1550                 0.1382
 Raman1 Fr= 1--      12.095                 13.667                 10.619
 ROA1   Fr= 1--     -23.913                -63.443                -23.096
 CID1   Fr= 1--      -1.977                 -4.642                 -2.175
 Raman2 Fr= 1--       5.111                  5.852                  3.708
 ROA2   Fr= 1--     -11.324                -13.381                 -7.985
 CID2   Fr= 1--      -2.216                 -2.287                 -2.154
 Raman3 Fr= 1--      10.222                 11.704                  7.415
 ROA3   Fr= 1--     -23.913                -63.443                -23.096
 CID3   Fr= 1--      -2.339                 -5.421                 -3.115
 RC180  Fr= 1--       0.690                  0.713                  0.397
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02   0.00    -0.00   0.01  -0.03    -0.00   0.00   0.00
     2   6    -0.01  -0.03   0.01    -0.04   0.02  -0.02    -0.01  -0.00  -0.00
     3   6    -0.00  -0.00  -0.00     0.00  -0.01   0.00     0.03   0.00  -0.01
     4   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.03  -0.03   0.01    -0.03   0.01   0.01    -0.00   0.00  -0.00
     7   7    -0.00   0.00  -0.00    -0.00   0.01  -0.00     0.02  -0.07  -0.01
     8   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     9   1     0.01   0.03  -0.00     0.01   0.01   0.00    -0.03  -0.04  -0.00
    10   1    -0.03  -0.01  -0.06     0.07  -0.02   0.03     0.03  -0.02   0.02
    11   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    12   1     0.01   0.00  -0.01     0.01  -0.01  -0.03    -0.16   0.40   0.53
    13   1    -0.01  -0.02   0.00     0.01  -0.04   0.01    -0.27   0.62  -0.25
    14   1     0.23  -0.16   0.26     0.52  -0.16  -0.08     0.04  -0.02   0.01
    15   1    -0.22   0.27  -0.28    -0.08  -0.35  -0.22    -0.00  -0.02  -0.01
    16   1     0.43   0.35  -0.14     0.12   0.26   0.21     0.01   0.03   0.02
    17   1    -0.14   0.36  -0.06    -0.11  -0.34   0.06    -0.00  -0.00   0.00
    18   1     0.08  -0.00  -0.25     0.12  -0.08   0.41     0.00  -0.00   0.00
    19   1    -0.07   0.07   0.28     0.17   0.17  -0.08     0.00   0.00  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1804.6923              3030.9745              3035.2467
 Red. masses --      9.8723                 1.0370                 1.0362
 Frc consts  --     18.9441                 5.6128                 5.6244
 IR Inten    --    274.2981                35.6448                13.5474
 RamAct Fr= 1--     15.1097                24.6842               284.1088
  Dep-P Fr= 1--      0.2125                 0.2461                 0.0091
  Dep-U Fr= 1--      0.3505                 0.3949                 0.0180
 Alpha2 Fr= 1--      0.1985                 0.2958                 6.1809
 Beta2  Fr= 1--      0.8826                 1.6248                 0.8525
 AlphaG Fr= 1--     -0.0169                -0.0038                -0.4145
 Gamma2 Fr= 1--     -0.6329                -1.9129                 0.4302
 Delta2 Fr= 1--     -0.0420                -0.8805                 0.4195
 Raman1 Fr= 1--      60.439                 98.737               1136.435
 ROA1   Fr= 1--     -62.100               -211.816                 54.722
 CID1   Fr= 1--      -1.027                 -2.145                  0.048
 Raman2 Fr= 1--      10.591                 19.498                 10.230
 ROA2   Fr= 1--     -14.853                -38.866                  6.968
 CID2   Fr= 1--      -1.402                 -1.993                  0.681
 Raman3 Fr= 1--      21.182                 38.996                 20.460
 ROA3   Fr= 1--     -62.100               -211.816                 54.722
 CID3   Fr= 1--      -2.932                 -5.432                  2.675
 RC180  Fr= 1--      -0.299                 -0.210                 -0.964
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.03  -0.00  -0.03     0.02  -0.00  -0.02
     2   6     0.01  -0.01   0.00     0.00   0.01   0.00     0.00   0.01   0.00
     3   6     0.04   0.00  -0.04    -0.00   0.00   0.00    -0.00   0.00   0.01
     4   6    -0.45   0.30   0.47     0.00   0.00   0.00    -0.00   0.00   0.00
     5   8     0.03  -0.03  -0.04     0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.01  -0.02     0.00   0.01   0.04
     7   7    -0.00  -0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   8     0.26  -0.22  -0.30     0.00  -0.00   0.00     0.00  -0.00  -0.00
     9   1     0.19   0.03  -0.02     0.00  -0.00  -0.01     0.00  -0.01  -0.06
    10   1     0.01  -0.00  -0.00    -0.05  -0.16  -0.03    -0.02  -0.07  -0.01
    11   1     0.03   0.40   0.25     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    12   1    -0.03  -0.00   0.02     0.00   0.00   0.00     0.00  -0.00  -0.00
    13   1    -0.05  -0.01  -0.01    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   1    -0.01   0.00   0.00     0.11   0.30   0.07    -0.16  -0.46  -0.10
    15   1    -0.02   0.03  -0.01    -0.26  -0.05   0.13     0.46   0.08  -0.24
    16   1     0.02  -0.00  -0.04     0.18  -0.18   0.09    -0.30   0.30  -0.15
    17   1     0.00   0.01  -0.00     0.05   0.10   0.55     0.03   0.06   0.35
    18   1    -0.01   0.00  -0.00    -0.10  -0.35  -0.05    -0.06  -0.21  -0.03
    19   1    -0.02  -0.01   0.02    -0.35   0.30  -0.20    -0.20   0.18  -0.11
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3039.6347              3056.3575              3089.1132
 Red. masses --      1.0816                 1.0838                 1.1015
 Frc consts  --      5.8876                 5.9651                 6.1929
 IR Inten    --      8.0484                14.3934                29.9894
 RamAct Fr= 1--     98.7582               115.0311                75.8230
  Dep-P Fr= 1--      0.3015                 0.1071                 0.7426
  Dep-U Fr= 1--      0.4633                 0.1935                 0.8523
 Alpha2 Fr= 1--      1.0085                 1.9793                 0.0096
 Beta2  Fr= 1--      7.6252                 3.7089                10.7702
 AlphaG Fr= 1--      0.0134                -0.0919                -0.0296
 Gamma2 Fr= 1--      1.1730                -4.0627                 0.4657
 Delta2 Fr= 1--      1.7758                -4.5222                 1.1841
 Raman1 Fr= 1--     395.033                460.124                303.292
 ROA1   Fr= 1--     169.429               -534.734                 82.600
 CID1   Fr= 1--       0.429                 -1.162                  0.272
 Raman2 Fr= 1--      91.502                 44.507                129.243
 ROA2   Fr= 1--      13.945                -61.328                  1.705
 CID2   Fr= 1--       0.152                 -1.378                  0.013
 Raman3 Fr= 1--     183.005                 89.013                258.486
 ROA3   Fr= 1--     169.429               -534.734                 82.600
 CID3   Fr= 1--       0.926                 -6.007                  0.320
 RC180  Fr= 1--      -0.073                 -0.613                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.00     0.01   0.00   0.00    -0.05   0.02  -0.08
     2   6    -0.02  -0.07  -0.01    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
     3   6    -0.00   0.00   0.02     0.00  -0.01  -0.08     0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   8    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     6   6     0.00   0.01  -0.00    -0.00   0.00   0.00     0.01  -0.01  -0.00
     7   7    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   1     0.01  -0.03  -0.19    -0.02   0.13   0.96     0.00   0.01   0.06
    10   1     0.27   0.88   0.18     0.05   0.16   0.03     0.01   0.03   0.01
    11   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    12   1     0.00  -0.00   0.00    -0.01   0.00  -0.01    -0.00   0.00  -0.00
    13   1    -0.00   0.00   0.00     0.01   0.00  -0.02     0.00   0.00  -0.00
    14   1    -0.03  -0.10  -0.02    -0.02  -0.06  -0.01     0.01   0.01   0.00
    15   1    -0.08  -0.01   0.04     0.02   0.00  -0.01    -0.10  -0.02   0.06
    16   1     0.07  -0.06   0.03     0.01  -0.01   0.00    -0.08   0.08  -0.04
    17   1     0.01   0.02   0.08    -0.00   0.00   0.00     0.04   0.13   0.66
    18   1    -0.05  -0.19  -0.03    -0.02  -0.07  -0.01     0.01   0.09  -0.01
    19   1    -0.05   0.05  -0.03    -0.05   0.04  -0.03     0.49  -0.43   0.26
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3096.5835              3097.4476              3112.4266
 Red. masses --      1.1017                 1.1013                 1.1005
 Frc consts  --      6.2241                 6.2253                 6.2812
 IR Inten    --     30.1139                20.5848                25.4108
 RamAct Fr= 1--     65.4664                52.9730                48.5635
  Dep-P Fr= 1--      0.7381                 0.5560                 0.7142
  Dep-U Fr= 1--      0.8493                 0.7147                 0.8332
 Alpha2 Fr= 1--      0.0133                 0.1957                 0.0301
 Beta2  Fr= 1--      9.2670                 6.3097                 6.7442
 AlphaG Fr= 1--      0.0547                -0.1065                -0.0796
 Gamma2 Fr= 1--    -11.2360                13.5235                -4.3819
 Delta2 Fr= 1--     -5.2863                10.1639                -3.6934
 Raman1 Fr= 1--     261.866                211.892                194.254
 ROA1   Fr= 1--   -1247.816               1623.504               -538.849
 CID1   Fr= 1--      -4.765                  7.662                 -2.774
 Raman2 Fr= 1--     111.204                 75.716                 80.931
 ROA2   Fr= 1--    -227.373                243.253                -75.618
 CID2   Fr= 1--      -2.045                  3.213                 -0.934
 Raman3 Fr= 1--     222.408                151.433                161.862
 ROA3   Fr= 1--   -1247.816               1623.504               -538.849
 CID3   Fr= 1--      -5.610                 10.721                 -3.329
 RC180  Fr= 1--       0.699                  0.429                  0.666
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01  -0.01     0.00   0.02   0.01    -0.00  -0.09  -0.02
     2   6    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   8     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     6   6    -0.09  -0.01   0.01     0.01  -0.09   0.01    -0.00  -0.02   0.00
     7   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   8    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     9   1     0.00   0.00  -0.00    -0.00   0.00   0.01     0.00   0.00   0.02
    10   1     0.02   0.06   0.01     0.04   0.12   0.03     0.05   0.15   0.03
    11   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    12   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    13   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    14   1     0.10   0.34   0.08     0.23   0.62   0.16     0.05   0.13   0.03
    15   1     0.67   0.12  -0.36     0.08  -0.01  -0.04     0.03   0.00  -0.02
    16   1     0.30  -0.33   0.18    -0.45   0.43  -0.24    -0.07   0.07  -0.04
    17   1     0.01   0.02   0.08    -0.01  -0.01  -0.10     0.02   0.03   0.25
    18   1    -0.01  -0.01  -0.01    -0.05  -0.18  -0.02     0.25   0.81   0.11
    19   1     0.09  -0.08   0.04     0.00  -0.00   0.01    -0.26   0.21  -0.15
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3496.2800              3564.7211              3720.2841
 Red. masses --      1.0496                 1.0918                 1.0641
 Frc consts  --      7.5594                 8.1745                 8.6773
 IR Inten    --      2.3051                 5.7715                56.4598
 RamAct Fr= 1--    114.4361                58.9364               212.3656
  Dep-P Fr= 1--      0.0789                 0.6077                 0.2447
  Dep-U Fr= 1--      0.1463                 0.7560                 0.3932
 Alpha2 Fr= 1--      2.1089                 0.1546                 2.5544
 Beta2  Fr= 1--      2.7907                 7.4259                13.9167
 AlphaG Fr= 1--      0.2106                 0.1662                -0.0551
 Gamma2 Fr= 1--      1.3098                -0.4458                -3.6808
 Delta2 Fr= 1--     -0.6619                 1.4413                -1.5739
 Raman1 Fr= 1--     457.744                235.746                849.463
 ROA1   Fr= 1--     104.563                  3.321               -403.719
 CID1   Fr= 1--       0.228                  0.014                 -0.475
 Raman2 Fr= 1--      33.489                 89.110                167.000
 ROA2   Fr= 1--      36.731                -22.230                -75.747
 CID2   Fr= 1--       1.097                 -0.249                 -0.454
 Raman3 Fr= 1--      66.978                178.221                334.000
 ROA3   Fr= 1--     104.563                  3.321               -403.719
 CID3   Fr= 1--       1.561                  0.019                 -1.209
 RC180  Fr= 1--      -0.707                  0.512                 -0.214
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   8     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.05  -0.02   0.02
     6   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   7     0.03  -0.04  -0.02    -0.01   0.02  -0.08    -0.00  -0.00  -0.00
     8   8    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     9   1    -0.00   0.00   0.01     0.00   0.00   0.02     0.00   0.00   0.00
    10   1     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    11   1    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.89   0.25  -0.38
    12   1    -0.30   0.37  -0.42     0.40  -0.46   0.48     0.00  -0.00   0.00
    13   1    -0.20   0.17   0.73    -0.19   0.15   0.58    -0.00  -0.00   0.00
    14   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    15   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    16   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    17   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    18   1     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    19   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  7 and mass  14.00307
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   117.07898 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   614.082141259.071801357.05588
           X            0.99993  -0.00953   0.00661
           Y            0.00999   0.99727  -0.07313
           Z           -0.00589   0.07319   0.99730
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.14105     0.06879     0.06382
 Rotational constants (GHZ):           2.93892     1.43339     1.32989
 Zero-point vibrational energy     431224.1 (Joules/Mol)
                                  103.06504 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     74.99   119.19   254.89   266.74   313.46
          (Kelvin)            369.33   373.23   422.14   493.08   569.82
                              634.00   821.09   876.84   944.55  1032.28
                             1205.26  1215.23  1310.97  1354.03  1381.26
                             1407.31  1548.16  1577.52  1627.00  1682.99
                             1742.27  1786.09  1838.43  1928.34  1969.43
                             1980.85  2018.48  2038.59  2054.76  2140.98
                             2154.47  2167.80  2181.48  2409.75  2596.55
                             4360.90  4367.04  4373.36  4397.42  4444.54
                             4455.29  4456.54  4478.09  5030.37  5128.84
                             5352.66
 
 Zero-point correction=                           0.164245 (Hartree/Particle)
 Thermal correction to Energy=                    0.173815
 Thermal correction to Enthalpy=                  0.174759
 Thermal correction to Gibbs Free Energy=         0.129854
 Sum of electronic and zero-point Energies=           -402.407378
 Sum of electronic and thermal Energies=              -402.397808
 Sum of electronic and thermal Enthalpies=            -402.396864
 Sum of electronic and thermal Free Energies=         -402.441769
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  109.070             34.449             94.510
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.188
 Rotational               0.889              2.981             28.441
 Vibrational            107.293             28.488             25.880
 Vibration     1          0.596              1.977              4.735
 Vibration     2          0.600              1.961              3.822
 Vibration     3          0.628              1.870              2.358
 Vibration     4          0.631              1.860              2.273
 Vibration     5          0.646              1.814              1.977
 Vibration     6          0.666              1.751              1.684
 Vibration     7          0.668              1.747              1.666
 Vibration     8          0.688              1.686              1.454
 Vibration     9          0.722              1.590              1.200
 Vibration    10          0.763              1.479              0.977
 Vibration    11          0.801              1.381              0.825
 Vibration    12          0.927              1.095              0.503
 Vibration    13          0.968              1.012              0.434
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.186724D-59        -59.728799       -137.530643
 Total V=0       0.658268D+16         15.818403         36.423218
 Vib (Bot)       0.102269D-72        -72.990255       -168.066272
 Vib (Bot)    1  0.396530D+01          0.598276          1.377581
 Vib (Bot)    2  0.248490D+01          0.395308          0.910231
 Vib (Bot)    3  0.113482D+01          0.054927          0.126475
 Vib (Bot)    4  0.108132D+01          0.033953          0.078180
 Vib (Bot)    5  0.908739D+00         -0.041561         -0.095697
 Vib (Bot)    6  0.757890D+00         -0.120394         -0.277218
 Vib (Bot)    7  0.748970D+00         -0.125536         -0.289057
 Vib (Bot)    8  0.650559D+00         -0.186713         -0.429923
 Vib (Bot)    9  0.540883D+00         -0.266897         -0.614553
 Vib (Bot)   10  0.451343D+00         -0.345494         -0.795529
 Vib (Bot)   11  0.392099D+00         -0.406604         -0.936241
 Vib (Bot)   12  0.269502D+00         -0.569438         -1.311180
 Vib (Bot)   13  0.242632D+00         -0.615052         -1.416210
 Vib (V=0)       0.360535D+03          2.556947          5.887589
 Vib (V=0)    1  0.449670D+01          0.652894          1.503343
 Vib (V=0)    2  0.303470D+01          0.482116          1.110113
 Vib (V=0)    3  0.174009D+01          0.240571          0.553936
 Vib (V=0)    4  0.169132D+01          0.228226          0.525510
 Vib (V=0)    5  0.153721D+01          0.186733          0.429970
 Vib (V=0)    6  0.140796D+01          0.148591          0.342144
 Vib (V=0)    7  0.140053D+01          0.146293          0.336851
 Vib (V=0)    8  0.132050D+01          0.120740          0.278014
 Vib (V=0)    9  0.123658D+01          0.092223          0.212352
 Vib (V=0)   10  0.117358D+01          0.069513          0.160059
 Vib (V=0)   11  0.113541D+01          0.055151          0.126991
 Vib (V=0)   12  0.106801D+01          0.028574          0.065794
 Vib (V=0)   13  0.105576D+01          0.023566          0.054262
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.497935D+08          7.697172         17.723394
 Rotational      0.366676D+06          5.564283         12.812235
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3     3 3        33333333                                         1   1  1111111111 111 1111                                    
     7     5 4        10000000                                         8   6  5544444333 222 1100 9999 88   7 6 65   4 33222211      
     2     6 9        19985433                                         0   7  1098210764 741 7397 7641 43   1 5 07   4 94955187   85 
     0     5 6        27796051                                         5   5  6778873790 811 0166 8011 58   7 6 91   1 63397857   32 
 
     X     X X        XXXXXXXX                                         X   X  XXXXXXXXXX XXX XXXX XXXX XX   X X XX   X XXXXXXXX   XX 
     X                XXXX   X                                         X   X           X      X      X X    X X XX           X       
     X                       X                                         X                      X      X X        XX           X       
     X                                                                 X                      X        X                             
                                                                       X                      X        X                             
                                                                       X                      X        X                             
                                                                       X                      X        X                             
                                                                       X                      X        X                             
                                                                       X                      X                                      
                                                                       X                      X                                      
                                                                       X                      X                                      
                                                                       X                      X                                      
                                                                       X                      X                                      
                                                                       X                      X                                      
                                                                       X                      X                                      
                                                                       X                      X                                      
                                                                       X                      X                                      
                                                                       X                      X                                      
                                                                       X                      X                                      
                                                                       X                                                             
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000012529    0.000000199    0.000009767
      2        6          -0.000006492   -0.000002596   -0.000000510
      3        6          -0.000003156   -0.000000198   -0.000007929
      4        6          -0.000005821    0.000007975    0.000010555
      5        8           0.000003575    0.000001431   -0.000002015
      6        6           0.000002003   -0.000004070    0.000001705
      7        7          -0.000004159   -0.000001815    0.000002841
      8        8           0.000004452   -0.000001923   -0.000005583
      9        1          -0.000000600    0.000004108   -0.000001004
     10        1           0.000002080    0.000002478    0.000000747
     11        1           0.000000929    0.000001220   -0.000001207
     12        1          -0.000001816   -0.000000670    0.000001025
     13        1          -0.000001292   -0.000002610    0.000001469
     14        1          -0.000000058   -0.000001009   -0.000002250
     15        1           0.000001314   -0.000001223   -0.000002551
     16        1           0.000000968   -0.000001639   -0.000000352
     17        1           0.000000075    0.000005138   -0.000000645
     18        1          -0.000002436   -0.000001938   -0.000001968
     19        1          -0.000002095   -0.000002856   -0.000002092
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000012529 RMS     0.000003826
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.905764D+02  0.818703D+00 -0.279892D+01
      2   0.818703D+00  0.791281D+02  0.186671D+01
      3  -0.279892D+01  0.186671D+01  0.758809D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.206016D+01 -0.164530D-01  0.246475D+00
      2   0.673589D+01 -0.629920D+01  0.344581D+02
      3   0.839512D+01 -0.251526D+02  0.756227D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.693493D+02 -0.288561D+02  0.420676D+01
      2  -0.399226D+02  0.265637D+02 -0.121096D+02
      3  -0.294267D+02  0.229243D+01  0.790285D+01
      4  -0.280968D+02  0.365490D+02 -0.171641D+02
      5   0.104120D+02 -0.198936D+02  0.683254D+02
      6  -0.500462D+01 -0.101206D+01 -0.644211D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.131979D+00  0.228985D+01 -0.396616D+01  0.416760D+01 -0.422336D+01
      2   0.228985D+01 -0.328092D+01  0.680671D+00 -0.422336D+01 -0.322592D+01
      3  -0.396616D+01  0.680671D+00  0.157864D+01  0.454825D+00 -0.123362D+01
                 6             7             8             9            10 
      1   0.454825D+00 -0.578031D+01  0.101750D+01 -0.541284D-01  0.208455D+01
      2  -0.123362D+01  0.101750D+01 -0.151468D+01  0.161770D+01 -0.210212D+01
      3   0.197200D+01 -0.541284D-01  0.161770D+01  0.766970D+01  0.443987D+01
                11            12            13            14            15 
      1  -0.210212D+01  0.443987D+01 -0.634326D+01  0.417328D+01  0.711872D-01
      2   0.429811D+01 -0.149135D+00  0.417328D+01  0.483200D+01  0.223292D+01
      3  -0.149135D+00 -0.117959D+01  0.711872D-01  0.223292D+01 -0.969752D+00
                16            17            18            19            20 
      1   0.727312D+01 -0.373227D+00 -0.587717D+00 -0.165291D+01  0.673960D+01
      2  -0.373227D+00  0.274040D+01 -0.139441D+00  0.673960D+01 -0.865395D-01
      3  -0.587717D+00 -0.139441D+00 -0.629326D+01 -0.139852D+01  0.141047D+00
                21            22            23            24            25 
      1  -0.139852D+01  0.673503D+01 -0.694419D+00  0.315262D+00 -0.443668D+01
      2   0.141047D+00 -0.694419D+00 -0.477573D+00 -0.824676D+00 -0.665944D+00
      3  -0.352364D+00  0.315262D+00 -0.824676D+00  0.190812D+01 -0.325957D+00
                26            27            28            29            30 
      1  -0.665944D+00 -0.325957D+00 -0.129511D+01 -0.481797D+01 -0.661233D+00
      2  -0.245371D+01  0.119622D+01 -0.481797D+01 -0.474733D-01  0.166341D+01
      3   0.119622D+01  0.664460D+01 -0.661233D+00  0.166341D+01  0.595118D+00
                31            32            33            34            35 
      1  -0.505250D+01 -0.780634D+00  0.222008D+01 -0.436371D+01  0.221070D+01
      2  -0.780634D+00 -0.877030D+00  0.911783D+00  0.221070D+01  0.652628D+00
      3   0.222008D+01  0.911783D+00 -0.155418D+01  0.154148D+01 -0.936954D+00
                36            37            38            39            40 
      1   0.154148D+01  0.723860D+01  0.314722D+01 -0.176829D+01  0.203792D+01
      2  -0.936954D+00  0.314722D+01  0.284203D+01 -0.826029D+00  0.136183D+01
      3  -0.262689D+01 -0.176829D+01 -0.826029D+00  0.447894D+00 -0.133351D+01
                41            42            43            44            45 
      1   0.136183D+01 -0.133351D+01 -0.318866D+01 -0.201472D+01 -0.100348D+01
      2  -0.335074D+01 -0.183252D+01 -0.201472D+01 -0.263364D+01 -0.172375D+01
      3  -0.183252D+01 -0.724270D+00 -0.100348D+01 -0.172375D+01 -0.250200D+01
                46            47            48            49            50 
      1   0.111504D+01  0.255304D+01 -0.513641D+01  0.293552D+01 -0.392516D+01
      2   0.255304D+01 -0.360922D+01  0.569180D+00 -0.392516D+01 -0.265384D+01
      3  -0.513641D+01  0.569180D+00  0.112418D+01  0.629479D+00 -0.335179D+01
                51            52            53            54            55 
      1   0.629479D+00 -0.392345D+01  0.286538D+00  0.843524D+00  0.140079D+01
      2  -0.335179D+01  0.286538D+00 -0.230920D+01  0.558831D+00 -0.187551D+01
      3   0.160232D+01  0.843524D+00  0.558831D+00  0.384697D+01  0.921602D+00
                56            57            58            59            60 
      1  -0.187551D+01  0.921602D+00 -0.152946D+01  0.262372D+01 -0.949896D+00
      2   0.358546D+01 -0.816339D+00  0.262372D+01  0.501174D+00  0.964887D+00
      3  -0.816339D+00  0.249602D+01 -0.949896D+00  0.964887D+00 -0.187330D+01
                61            62            63            64            65 
      1   0.125471D+01 -0.155233D+01  0.268469D+01 -0.652137D+01  0.288729D+01
      2  -0.155233D+01  0.109597D+01 -0.189471D+01  0.288729D+01 -0.225377D+01
      3   0.268469D+01 -0.189471D+01 -0.242173D+01  0.282471D+01 -0.127378D+01
                66            67            68            69            70 
      1   0.282471D+01  0.437547D+01 -0.219019D+01 -0.118407D+01  0.601045D+01
      2  -0.127378D+01 -0.219019D+01  0.421279D+01  0.156837D+01 -0.109127D+01
      3  -0.186780D+01 -0.118407D+01  0.156837D+01  0.186610D+01 -0.298536D+01
                71            72            73            74            75 
      1  -0.109127D+01 -0.298536D+01  0.505537D+00 -0.715792D+00 -0.103003D+01
      2   0.213830D+01  0.199942D+01 -0.715792D+00  0.193500D+00 -0.719159D-01
      3   0.199942D+01  0.565634D+01 -0.103003D+01 -0.719159D-01  0.179755D+00
                76            77            78            79            80 
      1  -0.136847D+01  0.285187D+00 -0.239454D-02 -0.124533D+01  0.964839D-01
      2   0.285187D+00  0.203495D+00 -0.109807D+01  0.964839D-01 -0.115861D+01
      3  -0.239454D-02 -0.109807D+01 -0.752033D+00  0.842185D-01 -0.228144D+00
                81            82            83            84            85 
      1   0.842185D-01 -0.148761D+01 -0.110304D+01 -0.887233D+00 -0.117336D+01
      2  -0.228144D+00 -0.110304D+01 -0.161893D+01  0.519537D-02 -0.133822D+01
      3  -0.882517D+01 -0.887233D+00  0.519537D-02 -0.270282D+00 -0.591202D-01
                86            87            88            89            90 
      1  -0.133822D+01 -0.591202D-01 -0.123395D+01 -0.718770D-01 -0.767877D-01
      2  -0.754336D+01 -0.120746D+01 -0.718770D-01 -0.119233D+01 -0.124418D+01
      3  -0.120746D+01 -0.147601D+01 -0.767877D-01 -0.124418D+01 -0.515900D-01
                91            92            93            94            95 
      1  -0.947059D+01 -0.537281D+01  0.345609D+00 -0.282133D+01 -0.265683D+01
      2  -0.537281D+01 -0.450482D+01  0.339395D-01 -0.265683D+01 -0.324989D+01
      3   0.345609D+00  0.339395D-01 -0.115986D+01  0.178891D+00 -0.109423D-01
                96            97            98            99           100 
      1   0.178891D+00  0.293628D+01  0.178816D+01 -0.119617D+01 -0.866000D+00
      2  -0.109423D-01  0.178816D+01  0.146164D+01 -0.751229D+00  0.198778D+01
      3  -0.604811D+00 -0.119617D+01 -0.751229D+00  0.347899D+00 -0.109710D+01
               101           102           103           104           105 
      1   0.198778D+01 -0.109710D+01  0.193487D+01 -0.239698D+01  0.118712D+01
      2  -0.259974D+01  0.143520D+01 -0.239698D+01  0.554338D+01 -0.213236D+01
      3   0.143520D+01 -0.121641D+01  0.118712D+01 -0.213236D+01  0.174944D+01
               106           107           108           109           110 
      1  -0.202079D+01  0.177866D+01 -0.153372D+01 -0.114766D+00  0.604807D+00
      2   0.177866D+01 -0.370042D+01  0.248343D+01  0.604807D+00 -0.673858D+00
      3  -0.153372D+01  0.248343D+01 -0.252313D+01  0.228781D+00 -0.492569D+00
               111           112           113           114           115 
      1   0.228781D+00  0.660503D+00 -0.325599D+00 -0.503961D+00  0.146955D+01
      2  -0.492569D+00 -0.325599D+00  0.187196D+01  0.105349D+01 -0.328482D+00
      3  -0.966359D+00 -0.503961D+00  0.105349D+01  0.129168D+01 -0.843073D+00
               116           117           118           119           120 
      1  -0.328482D+00 -0.843073D+00  0.127351D+01  0.935011D+00  0.119443D+01
      2   0.276877D+01  0.171351D+01  0.935011D+00  0.176475D+01  0.524696D+00
      3   0.171351D+01  0.454946D+01  0.119443D+01  0.524696D+00  0.988291D+00
               121           122           123           124           125 
      1   0.154294D+01  0.161644D+01  0.897890D+00  0.817616D+00  0.384988D+00
      2   0.161644D+01  0.514641D+01  0.198123D+01  0.384988D+00  0.138620D+01
      3   0.897890D+00  0.198123D+01  0.268498D+01  0.455577D+00  0.117229D+01
               126           127           128           129           130 
      1   0.455577D+00 -0.497968D+01 -0.856701D+00  0.263186D+01 -0.917769D+00
      2   0.117229D+01 -0.856701D+00 -0.791146D+00  0.648520D+00 -0.403568D+00
      3   0.121944D+01  0.263186D+01  0.648520D+00 -0.372494D+01  0.356846D+00
               131           132           133           134           135 
      1  -0.403568D+00  0.356846D+00  0.216579D+01  0.326111D+00 -0.206033D+01
      2  -0.437030D+00  0.114427D+01  0.326111D+00  0.850564D+00 -0.601068D+00
      3   0.114427D+01 -0.901116D+00 -0.206033D+01 -0.601068D+00  0.310562D+01
               136           137           138           139           140 
      1   0.386792D+01 -0.243005D+01  0.270863D+01 -0.281203D+01  0.259533D+01
      2  -0.243005D+01  0.239621D+01 -0.143034D+01  0.259533D+01 -0.312445D+01
      3   0.270863D+01 -0.143034D+01  0.245358D+01 -0.162517D+01  0.235087D+01
               141           142           143           144           145 
      1  -0.162517D+01  0.157018D+01 -0.100209D+01  0.163882D+01  0.818110D-01
      2   0.235087D+01 -0.100209D+01  0.149920D+01 -0.161616D+01 -0.290536D+00
      3  -0.262690D+01  0.163882D+01 -0.161616D+01  0.223917D+01 -0.643732D+00
               146           147           148           149           150 
      1  -0.290536D+00 -0.643732D+00 -0.751869D+00  0.737590D+00  0.194017D+00
      2   0.206377D+00 -0.125317D-01  0.737590D+00 -0.381495D+00 -0.115710D+01
      3  -0.125317D-01 -0.405918D+00  0.194017D+00 -0.115710D+01 -0.149187D+01
               151           152           153           154           155 
      1  -0.171942D+01  0.226200D+00  0.178435D+01  0.186609D+01  0.145775D+01
      2   0.226200D+00 -0.126793D+01 -0.123750D+01  0.145775D+01  0.188331D+01
      3   0.178435D+01 -0.123750D+01 -0.983179D+01  0.247425D+00 -0.149723D+00
               156           157           158           159           160 
      1   0.247425D+00  0.317605D+01  0.228073D+01 -0.484551D+00  0.948340D+00
      2  -0.149723D+00  0.228073D+01  0.563161D+01  0.576718D-01  0.606670D-01
      3   0.297726D+00 -0.484551D+00  0.576718D-01  0.119591D+01  0.511090D+00
               161           162           163           164           165 
      1   0.606670D-01  0.511090D+00  0.682219D+01 -0.303783D+01  0.104581D+01
      2   0.536458D+00  0.569594D+00 -0.303783D+01  0.229668D+01 -0.479489D+00
      3   0.569594D+00 -0.565121D+00  0.104581D+01 -0.479489D+00  0.982326D+00
               166           167           168           169           170 
      1  -0.479585D+01  0.326085D+01 -0.362929D+00  0.346626D+01 -0.107605D+01
      2   0.326085D+01 -0.262149D+01  0.583027D+00 -0.107605D+01  0.110039D+01
      3  -0.362929D+00  0.583027D+00 -0.129632D+01  0.112296D+01 -0.937855D+00
               171 
      1   0.112296D+01
      2  -0.937855D+00
      3   0.361489D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.365558D+01  0.301355D+01 -0.126769D-01  0.431618D+01  0.253168D+01
      2  -0.103414D+02  0.392789D+01  0.154261D+01  0.504105D+01 -0.699067D+01
      3  -0.624241D+01  0.633479D+01 -0.252030D+00  0.149051D+02  0.121816D+02
                 6             7             8             9            10 
      1  -0.686568D+00  0.484323D+00  0.285188D+01  0.345361D-01  0.435316D+01
      2   0.553759D+01 -0.918445D+01  0.562773D+01  0.223634D+02  0.877936D+01
      3   0.184348D+01 -0.223595D+01  0.356658D+01 -0.508984D+01  0.158089D+01
                11            12            13            14            15 
      1  -0.733185D+00 -0.422115D+00 -0.743342D+00  0.290717D+01 -0.483680D+01
      2  -0.129754D+01  0.313628D+01 -0.527301D+01  0.302345D+01 -0.126905D+01
      3  -0.537005D+01 -0.156116D+01  0.142091D+00 -0.118672D+02 -0.270882D+01
                16            17            18            19            20 
      1  -0.156613D+01  0.174119D+01 -0.305057D+01 -0.591807D+01 -0.635451D+00
      2  -0.254194D+01  0.731169D-01 -0.655039D+01 -0.131826D+01  0.240644D+01
      3   0.357433D+00 -0.199499D+01  0.122654D+01  0.457219D+01 -0.282401D+01
                21            22            23            24            25 
      1  -0.130233D+01  0.702248D+00  0.292385D+01  0.109608D+01 -0.685044D+00
      2   0.140650D+01  0.535038D+01 -0.171345D+01  0.144709D+01 -0.942349D+01
      3   0.138276D+01  0.163469D+01  0.177632D+01  0.954049D+00 -0.175269D+01
                26            27            28            29            30 
      1   0.519551D+01 -0.311999D+01  0.361982D+01  0.426007D+01  0.134683D+01
      2  -0.116348D+01 -0.160419D+01 -0.837615D+01 -0.375861D+01 -0.533433D+01
      3   0.666727D+00  0.290923D+00 -0.798611D+01  0.269455D+01 -0.118158D+01
                31            32            33            34            35 
      1   0.982861D+00 -0.782855D+01  0.321790D+00  0.875818D+00  0.336073D+01
      2   0.272981D+01  0.235616D+01  0.676993D+00 -0.137741D+02 -0.843962D+00
      3   0.399014D+01  0.315580D+01 -0.268373D+01 -0.817612D+01 -0.965857D+01
                36            37            38            39            40 
      1   0.712636D+01 -0.390012D+01 -0.135605D+01 -0.369480D+00 -0.892556D+00
      2   0.909933D+01  0.696730D+01  0.395359D+01  0.575819D+00 -0.180537D+01
      3  -0.197716D+01 -0.126672D+01 -0.550639D-01  0.603196D+00  0.645373D+01
                41            42            43            44            45 
      1   0.199703D+01 -0.499174D+01  0.248913D+01  0.367975D+01 -0.315388D+01
      2   0.320521D+01  0.163961D+01 -0.399596D+01  0.207013D+01  0.505706D+01
      3  -0.759269D+01 -0.187488D+01  0.252773D+01 -0.102206D+01 -0.308392D+01
                46            47            48            49            50 
      1   0.232037D+01 -0.689501D+01  0.190080D+01 -0.731551D+01 -0.696944D+01
      2  -0.115350D+02 -0.433797D+01  0.150812D+02 -0.269026D+01  0.255806D+01
      3  -0.446561D+01  0.193993D+01  0.107553D+01  0.624053D+01  0.586093D+01
                51            52            53            54            55 
      1  -0.970071D+01  0.118558D+01 -0.287206D+01  0.468130D+01 -0.368988D+00
      2   0.529167D+00  0.739148D+01  0.390813D+00  0.249819D+01  0.145717D+01
      3   0.420023D+01  0.116703D+01  0.289013D+01 -0.108595D+01  0.555044D+01
                56            57            58            59            60 
      1   0.187423D+01 -0.714600D+01  0.979628D+00 -0.486777D+01 -0.784179D+00
      2  -0.363207D+00  0.480808D+01 -0.933313D+00  0.137579D+01 -0.547192D+00
      3  -0.978176D+01  0.188424D+01  0.275940D+01  0.797783D+01 -0.258764D+01
                61            62            63            64            65 
      1  -0.580686D+01  0.964719D+01  0.611729D+01 -0.111186D+01 -0.334102D+01
      2   0.756237D+00 -0.317127D+00  0.185224D+00 -0.992761D+00  0.299819D+01
      3   0.163532D+01 -0.374196D+01  0.793437D+01  0.219236D+01 -0.982848D+01
                66            67            68            69            70 
      1   0.157361D+01  0.567387D+00  0.234824D+01 -0.348673D+01 -0.192646D+00
      2   0.993013D+01  0.129255D+01 -0.496778D+01 -0.361344D+01  0.301805D+01
      3  -0.942401D+00  0.562172D+00  0.714694D+01  0.369227D+01  0.517017D+01
                71            72            73            74            75 
      1   0.430740D+01 -0.264680D+01  0.840454D+00 -0.318457D+00  0.272366D+00
      2  -0.355439D+01 -0.132799D+02  0.887258D+00 -0.347311D+00  0.401597D-01
      3   0.801268D+01  0.357031D+01  0.115992D+00 -0.745658D+00 -0.590874D+00
                76            77            78            79            80 
      1  -0.292135D+00 -0.910365D-01  0.167706D+00 -0.463530D-01  0.387171D+01
      2  -0.139045D+01  0.301491D+00 -0.129298D+00 -0.363943D+01  0.192589D+00
      3   0.150223D+01 -0.892703D-01 -0.397556D+00  0.557740D+00 -0.244779D-01
                81            82            83            84            85 
      1   0.239097D+01 -0.141011D+01  0.173963D+00 -0.629801D+00 -0.189760D+00
      2   0.702385D+00 -0.136868D+01 -0.218652D+00  0.326872D+00 -0.224784D+00
      3  -0.156874D+00  0.394497D+01  0.172773D+01  0.972789D+00  0.644585D+01
                86            87            88            89            90 
      1  -0.271530D+00 -0.385113D+01 -0.581634D-01  0.372925D+00 -0.661548D-01
      2  -0.100141D+01 -0.112259D+01 -0.175169D+01 -0.134110D+01  0.313295D-01
      3   0.890098D+01  0.158111D+01  0.162657D+01  0.144757D+01  0.149481D+01
                91            92            93            94            95 
      1   0.432470D+01  0.270246D+01 -0.223507D+01  0.237257D+01  0.225290D+01
      2  -0.581147D+01 -0.351448D+01  0.417002D+01 -0.281009D+01 -0.236996D+01
      3   0.246795D+01 -0.424938D+01 -0.761557D+00  0.215805D+00 -0.270732D+01
                96            97            98            99           100 
      1  -0.104955D+01 -0.200941D+01 -0.899014D+00  0.125135D+01  0.116932D+01
      2   0.163442D+01  0.337408D+01  0.227342D+01 -0.239779D+01 -0.164991D+01
      3  -0.248998D-02  0.178316D+00  0.207360D+01 -0.327762D+00 -0.374899D+01
               101           102           103           104           105 
      1  -0.194493D+01  0.345884D+01 -0.202330D+01  0.198898D+01 -0.419370D+01
      2   0.107919D+01  0.111930D+00  0.163016D+01 -0.141988D+01  0.304738D+00
      3   0.344198D+01 -0.267273D+01  0.709023D+01 -0.608165D+01  0.360302D+01
               106           107           108           109           110 
      1   0.270436D+01 -0.248012D+01  0.428844D+01 -0.889458D+00  0.700035D+00
      2  -0.245981D+01  0.120715D+01 -0.773189D+00  0.105879D+01  0.283719D+00
      3  -0.558045D+01  0.488739D+01 -0.436235D+01 -0.121259D+01 -0.203476D+00
               111           112           113           114           115 
      1   0.299898D+01  0.119975D+01 -0.294606D+01 -0.375923D+01  0.248634D+01
      2  -0.486354D+00  0.103997D+00  0.271968D+00  0.264945D+00 -0.290714D+01
      3   0.966569D+00  0.167905D+01 -0.116529D+01 -0.146881D+01  0.445954D+01
               116           117           118           119           120 
      1  -0.335802D+01 -0.126721D+02  0.210156D+01  0.384920D+01  0.677101D+00
      2   0.463869D+00  0.807675D+00 -0.185055D+00 -0.807559D+00  0.624434D+00
      3  -0.151202D+01 -0.303960D+01 -0.752508D+00 -0.352824D+01 -0.974613D+00
               121           122           123           124           125 
      1   0.301028D+01  0.130803D+02  0.199422D+01  0.121510D+01  0.417585D+01
      2  -0.271481D+01 -0.245531D+00  0.298332D+01 -0.194078D+01  0.738356D+00
      3  -0.293027D+00 -0.875636D+01 -0.237301D+01 -0.372465D+00 -0.176318D+01
               126           127           128           129           130 
      1   0.238002D+01  0.173020D+00 -0.240964D+01 -0.125458D+01 -0.716593D+00
      2   0.659866D+00  0.166946D+02  0.224162D+01 -0.688818D+01  0.200401D+01
      3  -0.177412D+01  0.403586D+01 -0.444937D+00 -0.156740D+01  0.192337D+01
               131           132           133           134           135 
      1   0.127475D+00  0.660598D+00 -0.537885D+00  0.268962D+01  0.535779D+00
      2   0.185899D+01 -0.134944D+01 -0.904123D+01 -0.134773D+01  0.643868D+01
      3   0.281603D+00 -0.135695D+01 -0.141185D+01 -0.846102D-01  0.159893D+01
               136           137           138           139           140 
      1  -0.284298D+01  0.480570D+01 -0.137707D+00  0.377207D+01 -0.484481D+01
      2  -0.366224D+01  0.227191D+01  0.114940D+01  0.363858D+01 -0.121084D+01
      3   0.453499D+00 -0.377036D+01  0.740246D+00 -0.352466D+00  0.359782D+01
               141           142           143           144           145 
      1   0.608341D+00 -0.131136D+01  0.324635D+01 -0.118475D+01 -0.866632D-01
      2  -0.179758D+01 -0.301908D+01  0.422705D-01  0.639613D+00 -0.227128D+01
      3  -0.232406D+01 -0.208265D+00 -0.213949D+01  0.131926D+01  0.100266D+01
               146           147           148           149           150 
      1  -0.365487D-01 -0.695389D-01 -0.401825D+00  0.787035D-01 -0.582395D+00
      2  -0.308447D+00 -0.186687D+00 -0.581893D+00 -0.193599D+01 -0.383544D+01
      3  -0.112141D+01  0.343769D+00 -0.602784D+00  0.353872D+00  0.251992D+01
               151           152           153           154           155 
      1   0.327902D+00  0.381201D+01 -0.271367D+01 -0.135298D+01 -0.187874D+01
      2  -0.959250D+00 -0.306183D+01 -0.243807D+02  0.211441D+01  0.884178D+00
      3   0.607519D+00  0.355960D+01  0.275569D+01 -0.457831D+01 -0.600530D+01
               156           157           158           159           160 
      1  -0.533603D+00 -0.173630D+01 -0.511383D+01 -0.207597D+01 -0.203639D+00
      2   0.185044D+01  0.109807D+01  0.267557D+01  0.396920D+01  0.575294D+00
      3   0.435338D+00 -0.360050D+01 -0.192443D+02 -0.452445D+00  0.138008D+00
               161           162           163           164           165 
      1   0.597707D+00 -0.599047D+00  0.263439D+01 -0.183017D+01  0.188437D+01
      2   0.141884D+01 -0.767002D+00  0.815440D+01 -0.415997D+01  0.608121D+01
      3  -0.179914D+01 -0.135998D+01  0.392691D+01 -0.777264D+01  0.116601D+01
               166           167           168           169           170 
      1  -0.219276D+01  0.176372D+01 -0.278958D+01  0.105846D+01 -0.378826D+00
      2  -0.446462D+01  0.422883D+01 -0.532304D+01  0.423757D+01 -0.327952D+01
      3  -0.541002D+01  0.668129D+01 -0.156514D+01  0.131241D+01 -0.336377D+01
               171 
      1   0.133484D+01
      2   0.267180D+01
      3   0.206673D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.711965D+00  0.129606D+02 -0.201909D+02  0.158222D+02 -0.260791D+02
      2  -0.709667D+01 -0.316843D+01  0.949350D+01 -0.567741D+01  0.984321D+01
      3   0.780864D+01 -0.979217D+01  0.106974D+02 -0.101447D+02  0.162359D+02
      4   0.179973D+02 -0.205084D+02  0.625244D+01 -0.308274D+02 -0.150774D+02
      5  -0.224839D+02  0.276874D+01  0.845738D+01  0.186424D+01 -0.377639D+01
      6   0.152844D+01  0.211972D+01 -0.113904D+01  0.302313D+01  0.593829D+01
                 6             7             8             9            10 
      1   0.468581D+01 -0.254813D+02  0.785108D+01  0.149697D+02 -0.111473D+02
      2   0.156632D+01  0.938536D+01  0.355976D+00  0.679587D+01  0.624984D+00
      3  -0.625213D+01  0.160959D+02 -0.820706D+01 -0.217656D+02  0.105223D+02
      4  -0.589161D+01  0.992546D+01 -0.862988D+01  0.874356D+01 -0.342808D+01
      5   0.730489D+01  0.363189D+01  0.750647D+01  0.306522D+02  0.180561D+02
      6  -0.859980D+00  0.818277D+00 -0.889796D+00 -0.115069D+02 -0.522098D+01
                11            12            13            14            15 
      1  -0.811330D+00  0.141177D+02 -0.168797D+01  0.184851D+02  0.272392D+01
      2  -0.154369D+01 -0.923718D+01 -0.782504D+00 -0.231140D+02 -0.416654D+01
      3   0.235502D+01 -0.488049D+01  0.247048D+01  0.462885D+01  0.144262D+01
      4   0.770239D+01 -0.410928D+01  0.191356D+02  0.493014D+01  0.405581D+01
      5  -0.950394D+00 -0.357559D+01 -0.715436D+00  0.442211D+01 -0.216649D+01
      6   0.490962D+00  0.145264D+01  0.856167D+00 -0.632353D+01  0.538247D+01
                16            17            18            19            20 
      1   0.190690D+02 -0.316590D+00  0.606742D+00 -0.133560D+02 -0.934327D+01
      2  -0.885988D+01 -0.823383D+00  0.201772D+01  0.156443D+02  0.268588D+01
      3  -0.102091D+02  0.113997D+01 -0.262446D+01 -0.228828D+01  0.665739D+01
      4  -0.681720D+01  0.312045D+01 -0.586792D+00 -0.827200D+01 -0.457486D+01
      5  -0.308422D+01 -0.196999D+00 -0.156155D+02 -0.525843D+01 -0.203908D+01
      6  -0.376546D+00 -0.139973D+01  0.245424D+01  0.648561D-01 -0.111279D+01
                21            22            23            24            25 
      1  -0.742994D+00 -0.303649D+00 -0.116434D+01  0.126755D+01 -0.628676D+01
      2   0.216010D+01 -0.324798D+01 -0.593704D+01 -0.516156D-01  0.200013D+01
      3  -0.141711D+01  0.355163D+01  0.710138D+01 -0.121594D+01  0.428664D+01
      4   0.106089D+01 -0.180766D+02 -0.484438D+01 -0.394877D+00  0.549932D+01
      5   0.999877D+00  0.310182D+01  0.467267D+00  0.245514D+01  0.256491D+01
      6  -0.192093D+00  0.472759D-01  0.381132D+01 -0.438049D+01 -0.380479D+00
                26            27            28            29            30 
      1   0.616512D+01  0.111487D+02  0.594517D+00  0.149145D+02  0.544221D+00
      2  -0.351324D+01  0.132054D+02 -0.141739D+01 -0.729436D+01 -0.500625D+01
      3  -0.265188D+01 -0.243541D+02  0.822875D+00 -0.762015D+01  0.446203D+01
      4   0.597057D+00 -0.145214D+01  0.184253D+02 -0.307728D+01 -0.801171D+01
      5  -0.690517D+00  0.629661D-02  0.765057D+01 -0.688583D+01 -0.109843D+02
      6   0.363896D+01  0.119375D+01 -0.377091D+01  0.452014D+00 -0.112529D+01
                31            32            33            34            35 
      1   0.230567D+02  0.878892D+01 -0.519576D+01  0.150355D+02 -0.485636D+01
      2  -0.125106D+02 -0.104608D+02  0.954553D+01 -0.873246D+01 -0.196727D+01
      3  -0.105461D+02  0.167191D+01 -0.434976D+01 -0.630309D+01  0.682363D+01
      4  -0.107223D+01 -0.320465D-01 -0.258247D+01 -0.118169D+02  0.573167D+01
      5  -0.171096D+02 -0.198933D+01 -0.198395D+01 -0.955058D+01 -0.291244D+00
      6  -0.455592D+01 -0.728208D+01 -0.301284D+01 -0.211968D+01 -0.138253D+01
                36            37            38            39            40 
      1  -0.789253D+01 -0.243934D+02 -0.122428D+02  0.699393D+01 -0.141564D+02
      2   0.430098D+01  0.669748D+01  0.376574D+01 -0.371405D+01  0.680974D+01
      3   0.359155D+01  0.176960D+02  0.847710D+01 -0.327988D+01  0.734663D+01
      4   0.190178D+01 -0.212420D+02 -0.998946D+01  0.680027D+01  0.634454D+00
      5   0.146992D+02  0.667499D+01  0.372679D+01  0.635607D+01  0.813568D+01
      6  -0.604973D+01  0.511673D+01  0.243821D+01  0.114127D+01  0.562030D+01
                41            42            43            44            45 
      1  -0.218576D+02 -0.532143D+00  0.111603D+02  0.189347D+01 -0.411126D+01
      2   0.253619D+02 -0.441649D-01 -0.397649D+01  0.203733D+01 -0.279903D+01
      3  -0.350432D+01  0.576308D+00 -0.718386D+01 -0.393080D+01  0.691029D+01
      4   0.130046D+02  0.789031D+01  0.142873D+02  0.111796D+02  0.605650D+01
      5   0.800066D+01  0.779311D+01  0.108055D+02  0.915105D+01  0.131606D+02
      6   0.950501D+01  0.102832D+02  0.334072D+01  0.107426D+02  0.904193D+01
                46            47            48            49            50 
      1   0.130018D+02  0.504300D+01 -0.138982D+02  0.404836D+01 -0.627920D+01
      2   0.137832D+01 -0.695277D+00  0.324018D+01 -0.118208D+01  0.100876D+02
      3  -0.143802D+02 -0.434773D+01  0.106581D+02 -0.286628D+01 -0.380835D+01
      4   0.536599D+01 -0.143710D+02  0.911929D+01 -0.167127D+02 -0.372065D+01
      5  -0.782322D+01  0.948590D+01 -0.121315D+02  0.803083D+01 -0.207742D+02
      6   0.142671D+02 -0.135403D+02 -0.149246D-01 -0.150623D+02 -0.603690D+01
                51            52            53            54            55 
      1   0.600954D+00 -0.115423D+02 -0.134406D+01 -0.650553D+01  0.123675D+02
      2  -0.173691D+00  0.164382D+01  0.696333D-01 -0.736178D+01 -0.919055D+01
      3  -0.427263D+00  0.989851D+01  0.127442D+01  0.138673D+02 -0.317698D+01
      4  -0.128537D+02  0.743886D+01 -0.827914D+01  0.207636D+01  0.478663D+01
      5   0.478680D+01 -0.125804D+02  0.239980D+01  0.130122D+02 -0.780888D+00
      6  -0.138658D+02  0.135032D+01 -0.964540D+01  0.343941D+01  0.457784D+01
                56            57            58            59            60 
      1  -0.109174D+02  0.225429D+01 -0.789316D+01 -0.467908D+01 -0.219589D+01
      2   0.173989D+02 -0.276101D+01  0.159036D+02  0.161291D+02  0.456945D+01
      3  -0.648152D+01  0.506716D+00 -0.801048D+01 -0.114500D+02 -0.237356D+01
      4  -0.157520D+01  0.302750D+01  0.900335D+01  0.203036D+02 -0.336209D+01
      5   0.262612D+01  0.149072D+01  0.844448D+00 -0.372900D+01  0.155719D+01
      6  -0.703649D+01  0.122962D+02 -0.648961D+01  0.542619D+01 -0.313120D+01
                61            62            63            64            65 
      1   0.481642D+01 -0.310547D+00  0.522472D+01  0.374639D+02 -0.106167D+02
      2  -0.410030D+01  0.366246D+01 -0.110071D+02 -0.204445D+02  0.324698D+01
      3  -0.716114D+00 -0.335191D+01  0.578238D+01 -0.170194D+02  0.736970D+01
      4   0.375191D+01 -0.196152D+01  0.107893D+02 -0.187192D+02  0.180154D+02
      5   0.426647D+01  0.394265D+01 -0.265749D+01 -0.172001D+02  0.731149D+01
      6   0.125004D+02 -0.738568D+01 -0.773330D+01  0.262742D+01 -0.232341D+01
                66            67            68            69            70 
      1  -0.924669D+01 -0.160236D+02  0.186568D+01  0.171426D+01 -0.145021D+02
      2   0.100464D+02  0.688519D+01  0.540628D+01 -0.323079D+01  0.100412D+02
      3  -0.799664D+00  0.913841D+01 -0.727196D+01  0.151653D+01  0.446094D+01
      4   0.760756D+01  0.175483D+02 -0.168770D+02 -0.815305D+01  0.665262D+01
      5   0.186768D+02  0.812003D+01 -0.827929D+01 -0.695794D+01  0.213030D+02
      6  -0.277965D+01 -0.364932D+01  0.326598D+01  0.761275D+01 -0.249678D+01
                71            72            73            74            75 
      1   0.540714D+00  0.390143D+01  0.637442D+00  0.611754D+00  0.103875D+00
      2  -0.157801D+00 -0.146584D+02 -0.440243D+01  0.305140D+00 -0.277675D+00
      3  -0.382913D+00  0.107570D+02  0.376499D+01 -0.916894D+00  0.173800D+00
      4  -0.112969D+02 -0.991998D+01  0.209636D+00  0.177628D+01 -0.737561D+00
      5  -0.809388D+01 -0.276185D+02  0.215146D+00  0.220323D-01  0.636000D+01
      6   0.706239D+01  0.502047D+01 -0.571114D+00  0.655303D-01 -0.157666D+00
                76            77            78            79            80 
      1   0.120592D+01 -0.415614D+01 -0.133395D+01  0.747970D+00  0.602627D+00
      2   0.278502D+00  0.551255D+00 -0.171506D+01  0.226395D+00 -0.245483D+01
      3  -0.148442D+01  0.360489D+01  0.304901D+01 -0.974366D+00  0.185220D+01
      4   0.247915D+01 -0.325219D+00  0.142185D+00 -0.701945D+00  0.742054D-02
      5  -0.208892D-01 -0.174191D+00 -0.330507D+00  0.510104D+01  0.170375D+00
      6   0.246596D+00  0.411230D+00  0.673997D+01  0.114827D+00  0.465023D+01
                81            82            83            84            85 
      1  -0.208191D+02 -0.322615D+00 -0.324896D+01 -0.210688D+01 -0.582181D+01
      2  -0.171864D+02  0.436461D+01  0.460008D+01  0.192934D+01  0.641011D+01
      3   0.380054D+02 -0.404200D+01 -0.135112D+01  0.177536D+00 -0.588296D+00
      4   0.477525D+00  0.101771D+01  0.433197D+01  0.808195D+00  0.249077D+01
      5   0.123475D+01 -0.145716D+01  0.554504D+00  0.127919D+01  0.105203D+01
      6  -0.346819D+01  0.130163D+01  0.114256D+01  0.670870D+00  0.729121D+00
                86            87            88            89            90 
      1  -0.202351D+02 -0.140135D+01 -0.337991D+01 -0.252311D+01 -0.435952D+01
      2   0.331948D+02  0.432080D+01  0.208968D+01  0.295179D+01  0.282004D+01
      3  -0.129597D+02 -0.291946D+01  0.129022D+01 -0.428687D+00  0.153949D+01
      4  -0.963174D+01 -0.175284D+01  0.259521D+00 -0.156408D+01 -0.909708D+00
      5  -0.186397D+01 -0.313031D+01  0.254483D+01 -0.142887D+01  0.783406D+00
      6   0.564261D+01  0.541982D+01  0.154579D+01  0.776774D+01  0.293156D+01
                91            92            93            94            95 
      1   0.440967D+02  0.203495D+02 -0.253582D+01  0.761182D+01  0.640811D+01
      2  -0.161025D+02 -0.494492D+01  0.153226D+00  0.101552D+01  0.273992D+01
      3  -0.279941D+02 -0.154046D+02  0.238259D+01 -0.862735D+01 -0.914803D+01
      4   0.354345D+02  0.250602D+02 -0.117360D+01  0.163322D+02  0.163391D+02
      5   0.266714D+01  0.194838D+01  0.563776D+01  0.665054D+00  0.108612D+01
      6  -0.734819D+00  0.647946D+00  0.282173D+01  0.608764D+00  0.590003D+00
                96            97            98            99           100 
      1  -0.513191D+00 -0.118062D+02 -0.592932D+01  0.370115D+01 -0.232080D+01
      2  -0.302288D+00  0.370213D+01  0.453978D+00 -0.157787D+01  0.551189D+01
      3   0.815479D+00  0.810406D+01  0.547534D+01 -0.212328D+01 -0.319109D+01
      4  -0.632861D+00 -0.115669D+02 -0.869477D+01  0.521756D+01 -0.587356D+01
      5   0.213565D+01  0.672211D+01  0.382829D+01 -0.208454D+01  0.291596D+01
      6   0.208939D+01  0.400633D+01  0.327841D+01 -0.168823D+01 -0.627779D+01
               101           102           103           104           105 
      1   0.846512D+01 -0.397256D+01  0.642048D+01 -0.164199D+02  0.693413D+01
      2  -0.131790D+02  0.495091D+01 -0.106940D+02  0.256874D+02 -0.945526D+01
      3   0.471391D+01 -0.978348D+00  0.427354D+01 -0.926745D+01  0.252113D+01
      4   0.110895D+02 -0.531694D+01  0.972750D+01 -0.119696D+02  0.545244D+01
      5  -0.350195D+01  0.418069D+01 -0.226993D+01  0.385161D+01 -0.220511D+01
      6   0.973754D+01 -0.809089D+01  0.783654D+01 -0.154558D+02  0.109983D+02
               106           107           108           109           110 
      1  -0.528647D+01  0.106263D+02 -0.915120D+01 -0.111993D+01  0.279591D+01
      2   0.596715D+01 -0.119963D+02  0.706994D+01  0.164673D+01 -0.439084D+01
      3  -0.680676D+00  0.137001D+01  0.208126D+01 -0.526801D+00  0.159493D+01
      4  -0.653015D+01  0.764943D+01 -0.644674D+01  0.249439D-02  0.336277D+01
      5   0.388394D+01 -0.361803D+01  0.357398D+01 -0.137563D+01 -0.425797D+00
      6  -0.848989D+01  0.157192D+02 -0.133200D+02  0.710769D+00 -0.217391D+01
               111           112           113           114           115 
      1   0.133607D+01  0.112747D+01 -0.571760D+01 -0.317424D+01  0.562906D+00
      2  -0.208752D+01 -0.190479D+01  0.852707D+01  0.462176D+01 -0.169239D+01
      3   0.751448D+00  0.777318D+00 -0.280947D+01 -0.144752D+01  0.112948D+01
      4   0.583459D+00  0.365218D+01 -0.262165D+01 -0.204826D+01  0.386052D+01
      5   0.149829D+01 -0.100292D+00 -0.669538D+00 -0.223880D+00  0.325075D+00
      6  -0.430417D+01 -0.225796D+01  0.471245D+01  0.798556D+01 -0.431106D+01
               116           117           118           119           120 
      1  -0.832194D+01 -0.744188D+01  0.344346D+01  0.287549D+01  0.191811D+01
      2   0.107060D+02  0.524178D+01 -0.366886D+01 -0.230212D+01 -0.332416D+01
      3  -0.238407D+01  0.220010D+01  0.225397D+00 -0.573372D+00  0.140604D+01
      4  -0.313372D+01 -0.411465D+01  0.485848D+01  0.824071D+01  0.184378D+01
      5  -0.100993D+01 -0.425150D+00  0.704416D+01  0.470962D+01  0.816737D+01
      6   0.864199D+01  0.187997D+02  0.273194D+01  0.673975D+01  0.238976D+01
               121           122           123           124           125 
      1   0.432393D+01 -0.182651D+01 -0.401335D+01  0.483916D+00 -0.245227D+01
      2  -0.384141D+01  0.719396D+00 -0.525328D+01 -0.169932D+01 -0.233272D+01
      3  -0.482515D+00  0.110711D+01  0.926663D+01  0.121540D+01  0.478498D+01
      4   0.809855D+01  0.155559D+02  0.752054D+01  0.886698D+00  0.429302D+01
      5   0.809869D+01  0.117459D+02  0.100965D+02  0.558880D+01  0.499120D+01
      6   0.717274D+01  0.190003D+02  0.106113D+02  0.232917D+01  0.925889D+01
               126           127           128           129           130 
      1  -0.299395D+01 -0.100261D+02 -0.399908D+01  0.143875D+02 -0.282431D+01
      2  -0.244750D+01 -0.851311D+00  0.137695D+01  0.360440D+01  0.154088D+01
      3   0.544145D+01  0.108774D+02  0.262213D+01 -0.179919D+02  0.128343D+01
      4   0.378391D+01  0.438624D+01  0.269315D+01 -0.336675D+01  0.390587D+01
      5   0.498752D+01 -0.125107D+02 -0.287048D+01  0.597512D+01 -0.284416D+01
      6   0.520168D+01 -0.584991D+01 -0.461837D+01  0.602070D+01 -0.264296D+01
               131           132           133           134           135 
      1  -0.335771D+01  0.304220D+01  0.100815D+02  0.277346D+01 -0.130788D+02
      2   0.815969D+00 -0.567750D+00  0.231488D+01 -0.249946D+00 -0.564190D+01
      3   0.254174D+01 -0.247445D+01 -0.123964D+02 -0.252352D+01  0.187207D+02
      4   0.137152D+01  0.723219D+00 -0.222586D+01  0.307662D+00  0.178102D+01
      5   0.653201D+00  0.125387D+00  0.888611D+01  0.767233D+00 -0.515412D+01
      6  -0.265888D+01  0.659789D+01  0.334974D+01  0.570843D+01 -0.522994D+01
               136           137           138           139           140 
      1   0.115896D+02 -0.429317D+01  0.286823D+01 -0.513205D+01 -0.154322D+01
      2  -0.893221D+01  0.161693D+01 -0.687236D+01  0.171807D+01  0.404738D+01
      3  -0.265737D+01  0.267624D+01  0.400413D+01  0.341398D+01 -0.250416D+01
      4  -0.144653D+02  0.135880D+02 -0.861314D+01  0.148033D+02 -0.151924D+02
      5   0.203643D+02 -0.119447D+02  0.177529D+02 -0.136876D+02  0.138556D+02
      6  -0.111527D+02  0.114047D+02 -0.887061D+01  0.114557D+02 -0.152269D+02
               141           142           143           144           145 
      1   0.319666D+01  0.193849D+01  0.229888D+01 -0.246915D+01  0.102412D+01
      2   0.215881D+01 -0.515439D+01  0.191173D+01 -0.581856D+01 -0.260211D+01
      3  -0.535547D+01  0.321589D+01 -0.421061D+01  0.828771D+01  0.157800D+01
      4   0.100121D+02 -0.554904D+01  0.622691D+01 -0.757501D+01 -0.175687D+01
      5  -0.126846D+02  0.133308D+02 -0.868170D+01  0.129931D+02 -0.264546D+01
      6   0.138365D+02 -0.681195D+01  0.101245D+02 -0.101370D+02  0.131475D+01
               146           147           148           149           150 
      1  -0.211631D+01 -0.467279D+01 -0.323599D+01 -0.541932D-01 -0.326993D+01
      2   0.918165D+00  0.231341D+01  0.137315D+01 -0.686838D+00 -0.258097D-01
      3   0.119814D+01  0.235939D+01  0.186283D+01  0.741031D+00  0.329574D+01
      4   0.281638D+01  0.567743D+00  0.569433D+01 -0.184344D+01 -0.524617D+01
      5   0.571908D+00  0.553523D+01  0.198495D+01 -0.487142D+01 -0.636375D+01
      6   0.182852D+00  0.674554D+00 -0.168927D+01  0.346083D+01  0.844993D+01
               151           152           153           154           155 
      1  -0.706879D+01 -0.297566D+01 -0.151248D+02  0.122885D+02  0.818461D+01
      2   0.749432D+01 -0.344800D+00 -0.188359D+02 -0.326500D+01 -0.319362D+01
      3  -0.425534D+00  0.332046D+01  0.339607D+02 -0.902346D+01 -0.499099D+01
      4   0.205771D+01 -0.639050D+01 -0.667609D+01  0.832339D+01  0.143811D+02
      5   0.147629D+02 -0.606945D+01 -0.455384D+02 -0.434031D-01 -0.165388D+01
      6  -0.273852D+01  0.826982D+01  0.130431D+02 -0.174155D+01 -0.270368D+01
               156           157           158           159           160 
      1   0.167747D+01  0.179424D+02  0.111152D+02 -0.104523D+01  0.575340D+01
      2  -0.446577D+00 -0.768670D+01  0.142141D+01  0.169788D+01 -0.203748D+01
      3  -0.123089D+01 -0.102557D+02 -0.125366D+02 -0.652644D+00 -0.371593D+01
      4  -0.497543D+00  0.176474D+02  0.317470D+02  0.161525D+00  0.336115D+00
      5   0.242436D+01 -0.446897D+01 -0.173800D+00  0.757637D+01  0.365951D+01
      6   0.562025D+00 -0.245142D+01 -0.734722D+01  0.210268D+01  0.117889D+01
               161           162           163           164           165 
      1   0.377912D+00 -0.317078D+00  0.476591D+02 -0.175199D+02  0.743366D+01
      2   0.201993D+00 -0.155824D+01 -0.182789D+02  0.425172D+01 -0.229870D+01
      3  -0.579906D+00  0.187531D+01 -0.293801D+02  0.132682D+02 -0.513496D+01
      4   0.281165D+01  0.314308D+01 -0.262319D+02  0.201665D+02 -0.397789D+01
      5   0.375698D+01 -0.252025D+01  0.319168D+01 -0.158668D+01  0.778071D+01
      6   0.281067D+01  0.879827D+00  0.107826D+01 -0.191282D+01 -0.135547D+01
               166           167           168           169           170 
      1  -0.250262D+02  0.139546D+02 -0.273491D+01  0.175703D+02 -0.534420D+01
      2   0.668427D+01  0.117026D+01 -0.100535D+01 -0.674639D+01  0.244904D+00
      3   0.183419D+02 -0.151249D+02  0.374026D+01 -0.108239D+02  0.509929D+01
      4   0.261122D+02 -0.202977D+02  0.416081D+01 -0.974808D+01  0.802563D+01
      5  -0.680834D+00  0.221867D+01 -0.778458D+01  0.841455D+01 -0.561472D+01
      6  -0.159653D+01  0.433737D+00  0.302157D+01 -0.199084D+01  0.215742D+01
               171 
      1   0.412507D+01
      2  -0.314632D+01
      3  -0.978748D+00
      4  -0.628947D+01
      5   0.371171D+01
      6  -0.100583D+01
 Leave Link  716 at Thu Aug 12 20:07:55 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.905764D+02  0.818703D+00 -0.279892D+01
      2   0.818703D+00  0.791281D+02  0.186671D+01
      3  -0.279892D+01  0.186671D+01  0.758809D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.206016D+01 -0.164530D-01  0.246475D+00
      2   0.673589D+01 -0.629920D+01  0.344581D+02
      3   0.839512D+01 -0.251526D+02  0.756227D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.693493D+02 -0.288561D+02  0.420676D+01
      2  -0.399226D+02  0.265637D+02 -0.121096D+02
      3  -0.294267D+02  0.229243D+01  0.790285D+01
      4  -0.280968D+02  0.365490D+02 -0.171641D+02
      5   0.104120D+02 -0.198936D+02  0.683254D+02
      6  -0.500462D+01 -0.101206D+01 -0.644211D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.131979D+00  0.228985D+01 -0.396616D+01  0.416760D+01 -0.422336D+01
      2   0.228985D+01 -0.328092D+01  0.680671D+00 -0.422336D+01 -0.322592D+01
      3  -0.396616D+01  0.680671D+00  0.157864D+01  0.454825D+00 -0.123362D+01
                 6             7             8             9            10 
      1   0.454825D+00 -0.578031D+01  0.101750D+01 -0.541284D-01  0.208455D+01
      2  -0.123362D+01  0.101750D+01 -0.151468D+01  0.161770D+01 -0.210212D+01
      3   0.197200D+01 -0.541284D-01  0.161770D+01  0.766970D+01  0.443987D+01
                11            12            13            14            15 
      1  -0.210212D+01  0.443987D+01 -0.634326D+01  0.417328D+01  0.711872D-01
      2   0.429811D+01 -0.149135D+00  0.417328D+01  0.483200D+01  0.223292D+01
      3  -0.149135D+00 -0.117959D+01  0.711872D-01  0.223292D+01 -0.969752D+00
                16            17            18            19            20 
      1   0.727312D+01 -0.373227D+00 -0.587717D+00 -0.165291D+01  0.673960D+01
      2  -0.373227D+00  0.274040D+01 -0.139441D+00  0.673960D+01 -0.865395D-01
      3  -0.587717D+00 -0.139441D+00 -0.629326D+01 -0.139852D+01  0.141047D+00
                21            22            23            24            25 
      1  -0.139852D+01  0.673503D+01 -0.694419D+00  0.315262D+00 -0.443668D+01
      2   0.141047D+00 -0.694419D+00 -0.477573D+00 -0.824676D+00 -0.665944D+00
      3  -0.352364D+00  0.315262D+00 -0.824676D+00  0.190812D+01 -0.325957D+00
                26            27            28            29            30 
      1  -0.665944D+00 -0.325957D+00 -0.129511D+01 -0.481797D+01 -0.661233D+00
      2  -0.245371D+01  0.119622D+01 -0.481797D+01 -0.474733D-01  0.166341D+01
      3   0.119622D+01  0.664460D+01 -0.661233D+00  0.166341D+01  0.595118D+00
                31            32            33            34            35 
      1  -0.505250D+01 -0.780634D+00  0.222008D+01 -0.436371D+01  0.221070D+01
      2  -0.780634D+00 -0.877030D+00  0.911783D+00  0.221070D+01  0.652628D+00
      3   0.222008D+01  0.911783D+00 -0.155418D+01  0.154148D+01 -0.936954D+00
                36            37            38            39            40 
      1   0.154148D+01  0.723860D+01  0.314722D+01 -0.176829D+01  0.203792D+01
      2  -0.936954D+00  0.314722D+01  0.284203D+01 -0.826029D+00  0.136183D+01
      3  -0.262689D+01 -0.176829D+01 -0.826029D+00  0.447894D+00 -0.133351D+01
                41            42            43            44            45 
      1   0.136183D+01 -0.133351D+01 -0.318866D+01 -0.201472D+01 -0.100348D+01
      2  -0.335074D+01 -0.183252D+01 -0.201472D+01 -0.263364D+01 -0.172375D+01
      3  -0.183252D+01 -0.724270D+00 -0.100348D+01 -0.172375D+01 -0.250200D+01
                46            47            48            49            50 
      1   0.111504D+01  0.255304D+01 -0.513641D+01  0.293552D+01 -0.392516D+01
      2   0.255304D+01 -0.360922D+01  0.569180D+00 -0.392516D+01 -0.265384D+01
      3  -0.513641D+01  0.569180D+00  0.112418D+01  0.629479D+00 -0.335179D+01
                51            52            53            54            55 
      1   0.629479D+00 -0.392345D+01  0.286538D+00  0.843524D+00  0.140079D+01
      2  -0.335179D+01  0.286538D+00 -0.230920D+01  0.558831D+00 -0.187551D+01
      3   0.160232D+01  0.843524D+00  0.558831D+00  0.384697D+01  0.921602D+00
                56            57            58            59            60 
      1  -0.187551D+01  0.921602D+00 -0.152946D+01  0.262372D+01 -0.949896D+00
      2   0.358546D+01 -0.816339D+00  0.262372D+01  0.501174D+00  0.964887D+00
      3  -0.816339D+00  0.249602D+01 -0.949896D+00  0.964887D+00 -0.187330D+01
                61            62            63            64            65 
      1   0.125471D+01 -0.155233D+01  0.268469D+01 -0.652137D+01  0.288729D+01
      2  -0.155233D+01  0.109597D+01 -0.189471D+01  0.288729D+01 -0.225377D+01
      3   0.268469D+01 -0.189471D+01 -0.242173D+01  0.282471D+01 -0.127378D+01
                66            67            68            69            70 
      1   0.282471D+01  0.437547D+01 -0.219019D+01 -0.118407D+01  0.601045D+01
      2  -0.127378D+01 -0.219019D+01  0.421279D+01  0.156837D+01 -0.109127D+01
      3  -0.186780D+01 -0.118407D+01  0.156837D+01  0.186610D+01 -0.298536D+01
                71            72            73            74            75 
      1  -0.109127D+01 -0.298536D+01  0.505537D+00 -0.715792D+00 -0.103003D+01
      2   0.213830D+01  0.199942D+01 -0.715792D+00  0.193500D+00 -0.719159D-01
      3   0.199942D+01  0.565634D+01 -0.103003D+01 -0.719159D-01  0.179755D+00
                76            77            78            79            80 
      1  -0.136847D+01  0.285187D+00 -0.239454D-02 -0.124533D+01  0.964839D-01
      2   0.285187D+00  0.203495D+00 -0.109807D+01  0.964839D-01 -0.115861D+01
      3  -0.239454D-02 -0.109807D+01 -0.752033D+00  0.842185D-01 -0.228144D+00
                81            82            83            84            85 
      1   0.842185D-01 -0.148761D+01 -0.110304D+01 -0.887233D+00 -0.117336D+01
      2  -0.228144D+00 -0.110304D+01 -0.161893D+01  0.519537D-02 -0.133822D+01
      3  -0.882517D+01 -0.887233D+00  0.519537D-02 -0.270282D+00 -0.591202D-01
                86            87            88            89            90 
      1  -0.133822D+01 -0.591202D-01 -0.123395D+01 -0.718770D-01 -0.767877D-01
      2  -0.754336D+01 -0.120746D+01 -0.718770D-01 -0.119233D+01 -0.124418D+01
      3  -0.120746D+01 -0.147601D+01 -0.767877D-01 -0.124418D+01 -0.515900D-01
                91            92            93            94            95 
      1  -0.947059D+01 -0.537281D+01  0.345609D+00 -0.282133D+01 -0.265683D+01
      2  -0.537281D+01 -0.450482D+01  0.339395D-01 -0.265683D+01 -0.324989D+01
      3   0.345609D+00  0.339395D-01 -0.115986D+01  0.178891D+00 -0.109423D-01
                96            97            98            99           100 
      1   0.178891D+00  0.293628D+01  0.178816D+01 -0.119617D+01 -0.866000D+00
      2  -0.109423D-01  0.178816D+01  0.146164D+01 -0.751229D+00  0.198778D+01
      3  -0.604811D+00 -0.119617D+01 -0.751229D+00  0.347899D+00 -0.109710D+01
               101           102           103           104           105 
      1   0.198778D+01 -0.109710D+01  0.193487D+01 -0.239698D+01  0.118712D+01
      2  -0.259974D+01  0.143520D+01 -0.239698D+01  0.554338D+01 -0.213236D+01
      3   0.143520D+01 -0.121641D+01  0.118712D+01 -0.213236D+01  0.174944D+01
               106           107           108           109           110 
      1  -0.202079D+01  0.177866D+01 -0.153372D+01 -0.114766D+00  0.604807D+00
      2   0.177866D+01 -0.370042D+01  0.248343D+01  0.604807D+00 -0.673858D+00
      3  -0.153372D+01  0.248343D+01 -0.252313D+01  0.228781D+00 -0.492569D+00
               111           112           113           114           115 
      1   0.228781D+00  0.660503D+00 -0.325599D+00 -0.503961D+00  0.146955D+01
      2  -0.492569D+00 -0.325599D+00  0.187196D+01  0.105349D+01 -0.328482D+00
      3  -0.966359D+00 -0.503961D+00  0.105349D+01  0.129168D+01 -0.843073D+00
               116           117           118           119           120 
      1  -0.328482D+00 -0.843073D+00  0.127351D+01  0.935011D+00  0.119443D+01
      2   0.276877D+01  0.171351D+01  0.935011D+00  0.176475D+01  0.524696D+00
      3   0.171351D+01  0.454946D+01  0.119443D+01  0.524696D+00  0.988291D+00
               121           122           123           124           125 
      1   0.154294D+01  0.161644D+01  0.897890D+00  0.817616D+00  0.384988D+00
      2   0.161644D+01  0.514641D+01  0.198123D+01  0.384988D+00  0.138620D+01
      3   0.897890D+00  0.198123D+01  0.268498D+01  0.455577D+00  0.117229D+01
               126           127           128           129           130 
      1   0.455577D+00 -0.497968D+01 -0.856701D+00  0.263186D+01 -0.917769D+00
      2   0.117229D+01 -0.856701D+00 -0.791146D+00  0.648520D+00 -0.403568D+00
      3   0.121944D+01  0.263186D+01  0.648520D+00 -0.372494D+01  0.356846D+00
               131           132           133           134           135 
      1  -0.403568D+00  0.356846D+00  0.216579D+01  0.326111D+00 -0.206033D+01
      2  -0.437030D+00  0.114427D+01  0.326111D+00  0.850564D+00 -0.601068D+00
      3   0.114427D+01 -0.901116D+00 -0.206033D+01 -0.601068D+00  0.310562D+01
               136           137           138           139           140 
      1   0.386792D+01 -0.243005D+01  0.270863D+01 -0.281203D+01  0.259533D+01
      2  -0.243005D+01  0.239621D+01 -0.143034D+01  0.259533D+01 -0.312445D+01
      3   0.270863D+01 -0.143034D+01  0.245358D+01 -0.162517D+01  0.235087D+01
               141           142           143           144           145 
      1  -0.162517D+01  0.157018D+01 -0.100209D+01  0.163882D+01  0.818110D-01
      2   0.235087D+01 -0.100209D+01  0.149920D+01 -0.161616D+01 -0.290536D+00
      3  -0.262690D+01  0.163882D+01 -0.161616D+01  0.223917D+01 -0.643732D+00
               146           147           148           149           150 
      1  -0.290536D+00 -0.643732D+00 -0.751869D+00  0.737590D+00  0.194017D+00
      2   0.206377D+00 -0.125317D-01  0.737590D+00 -0.381495D+00 -0.115710D+01
      3  -0.125317D-01 -0.405918D+00  0.194017D+00 -0.115710D+01 -0.149187D+01
               151           152           153           154           155 
      1  -0.171942D+01  0.226200D+00  0.178435D+01  0.186609D+01  0.145775D+01
      2   0.226200D+00 -0.126793D+01 -0.123750D+01  0.145775D+01  0.188331D+01
      3   0.178435D+01 -0.123750D+01 -0.983179D+01  0.247425D+00 -0.149723D+00
               156           157           158           159           160 
      1   0.247425D+00  0.317605D+01  0.228073D+01 -0.484551D+00  0.948340D+00
      2  -0.149723D+00  0.228073D+01  0.563161D+01  0.576718D-01  0.606670D-01
      3   0.297726D+00 -0.484551D+00  0.576718D-01  0.119591D+01  0.511090D+00
               161           162           163           164           165 
      1   0.606670D-01  0.511090D+00  0.682219D+01 -0.303783D+01  0.104581D+01
      2   0.536458D+00  0.569594D+00 -0.303783D+01  0.229668D+01 -0.479489D+00
      3   0.569594D+00 -0.565121D+00  0.104581D+01 -0.479489D+00  0.982326D+00
               166           167           168           169           170 
      1  -0.479585D+01  0.326085D+01 -0.362929D+00  0.346626D+01 -0.107605D+01
      2   0.326085D+01 -0.262149D+01  0.583027D+00 -0.107605D+01  0.110039D+01
      3  -0.362929D+00  0.583027D+00 -0.129632D+01  0.112296D+01 -0.937855D+00
               171 
      1   0.112296D+01
      2  -0.937855D+00
      3   0.361489D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.365558D+01  0.301355D+01 -0.126769D-01  0.431618D+01  0.253168D+01
      2  -0.103414D+02  0.392789D+01  0.154261D+01  0.504105D+01 -0.699067D+01
      3  -0.624241D+01  0.633479D+01 -0.252030D+00  0.149051D+02  0.121816D+02
                 6             7             8             9            10 
      1  -0.686568D+00  0.484323D+00  0.285188D+01  0.345361D-01  0.435316D+01
      2   0.553759D+01 -0.918445D+01  0.562773D+01  0.223634D+02  0.877936D+01
      3   0.184348D+01 -0.223595D+01  0.356658D+01 -0.508984D+01  0.158089D+01
                11            12            13            14            15 
      1  -0.733185D+00 -0.422115D+00 -0.743342D+00  0.290717D+01 -0.483680D+01
      2  -0.129754D+01  0.313628D+01 -0.527301D+01  0.302345D+01 -0.126905D+01
      3  -0.537005D+01 -0.156116D+01  0.142091D+00 -0.118672D+02 -0.270882D+01
                16            17            18            19            20 
      1  -0.156613D+01  0.174119D+01 -0.305057D+01 -0.591807D+01 -0.635451D+00
      2  -0.254194D+01  0.731169D-01 -0.655039D+01 -0.131826D+01  0.240644D+01
      3   0.357433D+00 -0.199499D+01  0.122654D+01  0.457219D+01 -0.282401D+01
                21            22            23            24            25 
      1  -0.130233D+01  0.702248D+00  0.292385D+01  0.109608D+01 -0.685044D+00
      2   0.140650D+01  0.535038D+01 -0.171345D+01  0.144709D+01 -0.942349D+01
      3   0.138276D+01  0.163469D+01  0.177632D+01  0.954049D+00 -0.175269D+01
                26            27            28            29            30 
      1   0.519551D+01 -0.311999D+01  0.361982D+01  0.426007D+01  0.134683D+01
      2  -0.116348D+01 -0.160419D+01 -0.837615D+01 -0.375861D+01 -0.533433D+01
      3   0.666727D+00  0.290923D+00 -0.798611D+01  0.269455D+01 -0.118158D+01
                31            32            33            34            35 
      1   0.982861D+00 -0.782855D+01  0.321790D+00  0.875818D+00  0.336073D+01
      2   0.272981D+01  0.235616D+01  0.676993D+00 -0.137741D+02 -0.843962D+00
      3   0.399014D+01  0.315580D+01 -0.268373D+01 -0.817612D+01 -0.965857D+01
                36            37            38            39            40 
      1   0.712636D+01 -0.390012D+01 -0.135605D+01 -0.369480D+00 -0.892556D+00
      2   0.909933D+01  0.696730D+01  0.395359D+01  0.575819D+00 -0.180537D+01
      3  -0.197716D+01 -0.126672D+01 -0.550639D-01  0.603196D+00  0.645373D+01
                41            42            43            44            45 
      1   0.199703D+01 -0.499174D+01  0.248913D+01  0.367975D+01 -0.315388D+01
      2   0.320521D+01  0.163961D+01 -0.399596D+01  0.207013D+01  0.505706D+01
      3  -0.759269D+01 -0.187488D+01  0.252773D+01 -0.102206D+01 -0.308392D+01
                46            47            48            49            50 
      1   0.232037D+01 -0.689501D+01  0.190080D+01 -0.731551D+01 -0.696944D+01
      2  -0.115350D+02 -0.433797D+01  0.150812D+02 -0.269026D+01  0.255806D+01
      3  -0.446561D+01  0.193993D+01  0.107553D+01  0.624053D+01  0.586093D+01
                51            52            53            54            55 
      1  -0.970071D+01  0.118558D+01 -0.287206D+01  0.468130D+01 -0.368988D+00
      2   0.529167D+00  0.739148D+01  0.390813D+00  0.249819D+01  0.145717D+01
      3   0.420023D+01  0.116703D+01  0.289013D+01 -0.108595D+01  0.555044D+01
                56            57            58            59            60 
      1   0.187423D+01 -0.714600D+01  0.979628D+00 -0.486777D+01 -0.784179D+00
      2  -0.363207D+00  0.480808D+01 -0.933313D+00  0.137579D+01 -0.547192D+00
      3  -0.978176D+01  0.188424D+01  0.275940D+01  0.797783D+01 -0.258764D+01
                61            62            63            64            65 
      1  -0.580686D+01  0.964719D+01  0.611729D+01 -0.111186D+01 -0.334102D+01
      2   0.756237D+00 -0.317127D+00  0.185224D+00 -0.992761D+00  0.299819D+01
      3   0.163532D+01 -0.374196D+01  0.793437D+01  0.219236D+01 -0.982848D+01
                66            67            68            69            70 
      1   0.157361D+01  0.567387D+00  0.234824D+01 -0.348673D+01 -0.192646D+00
      2   0.993013D+01  0.129255D+01 -0.496778D+01 -0.361344D+01  0.301805D+01
      3  -0.942401D+00  0.562172D+00  0.714694D+01  0.369227D+01  0.517017D+01
                71            72            73            74            75 
      1   0.430740D+01 -0.264680D+01  0.840454D+00 -0.318457D+00  0.272366D+00
      2  -0.355439D+01 -0.132799D+02  0.887258D+00 -0.347311D+00  0.401597D-01
      3   0.801268D+01  0.357031D+01  0.115992D+00 -0.745658D+00 -0.590874D+00
                76            77            78            79            80 
      1  -0.292135D+00 -0.910365D-01  0.167706D+00 -0.463530D-01  0.387171D+01
      2  -0.139045D+01  0.301491D+00 -0.129298D+00 -0.363943D+01  0.192589D+00
      3   0.150223D+01 -0.892703D-01 -0.397556D+00  0.557740D+00 -0.244779D-01
                81            82            83            84            85 
      1   0.239097D+01 -0.141011D+01  0.173963D+00 -0.629801D+00 -0.189760D+00
      2   0.702385D+00 -0.136868D+01 -0.218652D+00  0.326872D+00 -0.224784D+00
      3  -0.156874D+00  0.394497D+01  0.172773D+01  0.972789D+00  0.644585D+01
                86            87            88            89            90 
      1  -0.271530D+00 -0.385113D+01 -0.581634D-01  0.372925D+00 -0.661548D-01
      2  -0.100141D+01 -0.112259D+01 -0.175169D+01 -0.134110D+01  0.313295D-01
      3   0.890098D+01  0.158111D+01  0.162657D+01  0.144757D+01  0.149481D+01
                91            92            93            94            95 
      1   0.432470D+01  0.270246D+01 -0.223507D+01  0.237257D+01  0.225290D+01
      2  -0.581147D+01 -0.351448D+01  0.417002D+01 -0.281009D+01 -0.236996D+01
      3   0.246795D+01 -0.424938D+01 -0.761557D+00  0.215805D+00 -0.270732D+01
                96            97            98            99           100 
      1  -0.104955D+01 -0.200941D+01 -0.899014D+00  0.125135D+01  0.116932D+01
      2   0.163442D+01  0.337408D+01  0.227342D+01 -0.239779D+01 -0.164991D+01
      3  -0.248998D-02  0.178316D+00  0.207360D+01 -0.327762D+00 -0.374899D+01
               101           102           103           104           105 
      1  -0.194493D+01  0.345884D+01 -0.202330D+01  0.198898D+01 -0.419370D+01
      2   0.107919D+01  0.111930D+00  0.163016D+01 -0.141988D+01  0.304738D+00
      3   0.344198D+01 -0.267273D+01  0.709023D+01 -0.608165D+01  0.360302D+01
               106           107           108           109           110 
      1   0.270436D+01 -0.248012D+01  0.428844D+01 -0.889458D+00  0.700035D+00
      2  -0.245981D+01  0.120715D+01 -0.773189D+00  0.105879D+01  0.283719D+00
      3  -0.558045D+01  0.488739D+01 -0.436235D+01 -0.121259D+01 -0.203476D+00
               111           112           113           114           115 
      1   0.299898D+01  0.119975D+01 -0.294606D+01 -0.375923D+01  0.248634D+01
      2  -0.486354D+00  0.103997D+00  0.271968D+00  0.264945D+00 -0.290714D+01
      3   0.966569D+00  0.167905D+01 -0.116529D+01 -0.146881D+01  0.445954D+01
               116           117           118           119           120 
      1  -0.335802D+01 -0.126721D+02  0.210156D+01  0.384920D+01  0.677101D+00
      2   0.463869D+00  0.807675D+00 -0.185055D+00 -0.807559D+00  0.624434D+00
      3  -0.151202D+01 -0.303960D+01 -0.752508D+00 -0.352824D+01 -0.974613D+00
               121           122           123           124           125 
      1   0.301028D+01  0.130803D+02  0.199422D+01  0.121510D+01  0.417585D+01
      2  -0.271481D+01 -0.245531D+00  0.298332D+01 -0.194078D+01  0.738356D+00
      3  -0.293027D+00 -0.875636D+01 -0.237301D+01 -0.372465D+00 -0.176318D+01
               126           127           128           129           130 
      1   0.238002D+01  0.173020D+00 -0.240964D+01 -0.125458D+01 -0.716593D+00
      2   0.659866D+00  0.166946D+02  0.224162D+01 -0.688818D+01  0.200401D+01
      3  -0.177412D+01  0.403586D+01 -0.444937D+00 -0.156740D+01  0.192337D+01
               131           132           133           134           135 
      1   0.127475D+00  0.660598D+00 -0.537885D+00  0.268962D+01  0.535779D+00
      2   0.185899D+01 -0.134944D+01 -0.904123D+01 -0.134773D+01  0.643868D+01
      3   0.281603D+00 -0.135695D+01 -0.141185D+01 -0.846102D-01  0.159893D+01
               136           137           138           139           140 
      1  -0.284298D+01  0.480570D+01 -0.137707D+00  0.377207D+01 -0.484481D+01
      2  -0.366224D+01  0.227191D+01  0.114940D+01  0.363858D+01 -0.121084D+01
      3   0.453499D+00 -0.377036D+01  0.740246D+00 -0.352466D+00  0.359782D+01
               141           142           143           144           145 
      1   0.608341D+00 -0.131136D+01  0.324635D+01 -0.118475D+01 -0.866632D-01
      2  -0.179758D+01 -0.301908D+01  0.422705D-01  0.639613D+00 -0.227128D+01
      3  -0.232406D+01 -0.208265D+00 -0.213949D+01  0.131926D+01  0.100266D+01
               146           147           148           149           150 
      1  -0.365487D-01 -0.695389D-01 -0.401825D+00  0.787035D-01 -0.582395D+00
      2  -0.308447D+00 -0.186687D+00 -0.581893D+00 -0.193599D+01 -0.383544D+01
      3  -0.112141D+01  0.343769D+00 -0.602784D+00  0.353872D+00  0.251992D+01
               151           152           153           154           155 
      1   0.327902D+00  0.381201D+01 -0.271367D+01 -0.135298D+01 -0.187874D+01
      2  -0.959250D+00 -0.306183D+01 -0.243807D+02  0.211441D+01  0.884178D+00
      3   0.607519D+00  0.355960D+01  0.275569D+01 -0.457831D+01 -0.600530D+01
               156           157           158           159           160 
      1  -0.533603D+00 -0.173630D+01 -0.511383D+01 -0.207597D+01 -0.203639D+00
      2   0.185044D+01  0.109807D+01  0.267557D+01  0.396920D+01  0.575294D+00
      3   0.435338D+00 -0.360050D+01 -0.192443D+02 -0.452445D+00  0.138008D+00
               161           162           163           164           165 
      1   0.597707D+00 -0.599047D+00  0.263439D+01 -0.183017D+01  0.188437D+01
      2   0.141884D+01 -0.767002D+00  0.815440D+01 -0.415997D+01  0.608121D+01
      3  -0.179914D+01 -0.135998D+01  0.392691D+01 -0.777264D+01  0.116601D+01
               166           167           168           169           170 
      1  -0.219276D+01  0.176372D+01 -0.278958D+01  0.105846D+01 -0.378826D+00
      2  -0.446462D+01  0.422883D+01 -0.532304D+01  0.423757D+01 -0.327952D+01
      3  -0.541002D+01  0.668129D+01 -0.156514D+01  0.131241D+01 -0.336377D+01
               171 
      1   0.133484D+01
      2   0.267180D+01
      3   0.206673D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.711965D+00  0.129606D+02 -0.201909D+02  0.158222D+02 -0.260791D+02
      2  -0.709667D+01 -0.316843D+01  0.949350D+01 -0.567741D+01  0.984321D+01
      3   0.780864D+01 -0.979217D+01  0.106974D+02 -0.101447D+02  0.162359D+02
      4   0.179973D+02 -0.205084D+02  0.625244D+01 -0.308274D+02 -0.150774D+02
      5  -0.224839D+02  0.276874D+01  0.845738D+01  0.186424D+01 -0.377639D+01
      6   0.152844D+01  0.211972D+01 -0.113904D+01  0.302313D+01  0.593829D+01
                 6             7             8             9            10 
      1   0.468581D+01 -0.254813D+02  0.785108D+01  0.149697D+02 -0.111473D+02
      2   0.156632D+01  0.938536D+01  0.355976D+00  0.679587D+01  0.624984D+00
      3  -0.625213D+01  0.160959D+02 -0.820706D+01 -0.217656D+02  0.105223D+02
      4  -0.589161D+01  0.992546D+01 -0.862988D+01  0.874356D+01 -0.342808D+01
      5   0.730489D+01  0.363189D+01  0.750647D+01  0.306522D+02  0.180561D+02
      6  -0.859980D+00  0.818277D+00 -0.889796D+00 -0.115069D+02 -0.522098D+01
                11            12            13            14            15 
      1  -0.811330D+00  0.141177D+02 -0.168797D+01  0.184851D+02  0.272392D+01
      2  -0.154369D+01 -0.923718D+01 -0.782504D+00 -0.231140D+02 -0.416654D+01
      3   0.235502D+01 -0.488049D+01  0.247048D+01  0.462885D+01  0.144262D+01
      4   0.770239D+01 -0.410928D+01  0.191356D+02  0.493014D+01  0.405581D+01
      5  -0.950394D+00 -0.357559D+01 -0.715436D+00  0.442211D+01 -0.216649D+01
      6   0.490962D+00  0.145264D+01  0.856167D+00 -0.632353D+01  0.538247D+01
                16            17            18            19            20 
      1   0.190690D+02 -0.316590D+00  0.606742D+00 -0.133560D+02 -0.934327D+01
      2  -0.885988D+01 -0.823383D+00  0.201772D+01  0.156443D+02  0.268588D+01
      3  -0.102091D+02  0.113997D+01 -0.262446D+01 -0.228828D+01  0.665739D+01
      4  -0.681720D+01  0.312045D+01 -0.586792D+00 -0.827200D+01 -0.457486D+01
      5  -0.308422D+01 -0.196999D+00 -0.156155D+02 -0.525843D+01 -0.203908D+01
      6  -0.376546D+00 -0.139973D+01  0.245424D+01  0.648561D-01 -0.111279D+01
                21            22            23            24            25 
      1  -0.742994D+00 -0.303649D+00 -0.116434D+01  0.126755D+01 -0.628676D+01
      2   0.216010D+01 -0.324798D+01 -0.593704D+01 -0.516156D-01  0.200013D+01
      3  -0.141711D+01  0.355163D+01  0.710138D+01 -0.121594D+01  0.428664D+01
      4   0.106089D+01 -0.180766D+02 -0.484438D+01 -0.394877D+00  0.549932D+01
      5   0.999877D+00  0.310182D+01  0.467267D+00  0.245514D+01  0.256491D+01
      6  -0.192093D+00  0.472759D-01  0.381132D+01 -0.438049D+01 -0.380479D+00
                26            27            28            29            30 
      1   0.616512D+01  0.111487D+02  0.594517D+00  0.149145D+02  0.544221D+00
      2  -0.351324D+01  0.132054D+02 -0.141739D+01 -0.729436D+01 -0.500625D+01
      3  -0.265188D+01 -0.243541D+02  0.822875D+00 -0.762015D+01  0.446203D+01
      4   0.597057D+00 -0.145214D+01  0.184253D+02 -0.307728D+01 -0.801171D+01
      5  -0.690517D+00  0.629661D-02  0.765057D+01 -0.688583D+01 -0.109843D+02
      6   0.363896D+01  0.119375D+01 -0.377091D+01  0.452014D+00 -0.112529D+01
                31            32            33            34            35 
      1   0.230567D+02  0.878892D+01 -0.519576D+01  0.150355D+02 -0.485636D+01
      2  -0.125106D+02 -0.104608D+02  0.954553D+01 -0.873246D+01 -0.196727D+01
      3  -0.105461D+02  0.167191D+01 -0.434976D+01 -0.630309D+01  0.682363D+01
      4  -0.107223D+01 -0.320465D-01 -0.258247D+01 -0.118169D+02  0.573167D+01
      5  -0.171096D+02 -0.198933D+01 -0.198395D+01 -0.955058D+01 -0.291244D+00
      6  -0.455592D+01 -0.728208D+01 -0.301284D+01 -0.211968D+01 -0.138253D+01
                36            37            38            39            40 
      1  -0.789253D+01 -0.243934D+02 -0.122428D+02  0.699393D+01 -0.141564D+02
      2   0.430098D+01  0.669748D+01  0.376574D+01 -0.371405D+01  0.680974D+01
      3   0.359155D+01  0.176960D+02  0.847710D+01 -0.327988D+01  0.734663D+01
      4   0.190178D+01 -0.212420D+02 -0.998946D+01  0.680027D+01  0.634454D+00
      5   0.146992D+02  0.667499D+01  0.372679D+01  0.635607D+01  0.813568D+01
      6  -0.604973D+01  0.511673D+01  0.243821D+01  0.114127D+01  0.562030D+01
                41            42            43            44            45 
      1  -0.218576D+02 -0.532143D+00  0.111603D+02  0.189347D+01 -0.411126D+01
      2   0.253619D+02 -0.441649D-01 -0.397649D+01  0.203733D+01 -0.279903D+01
      3  -0.350432D+01  0.576308D+00 -0.718386D+01 -0.393080D+01  0.691029D+01
      4   0.130046D+02  0.789031D+01  0.142873D+02  0.111796D+02  0.605650D+01
      5   0.800066D+01  0.779311D+01  0.108055D+02  0.915105D+01  0.131606D+02
      6   0.950501D+01  0.102832D+02  0.334072D+01  0.107426D+02  0.904193D+01
                46            47            48            49            50 
      1   0.130018D+02  0.504300D+01 -0.138982D+02  0.404836D+01 -0.627920D+01
      2   0.137832D+01 -0.695277D+00  0.324018D+01 -0.118208D+01  0.100876D+02
      3  -0.143802D+02 -0.434773D+01  0.106581D+02 -0.286628D+01 -0.380835D+01
      4   0.536599D+01 -0.143710D+02  0.911929D+01 -0.167127D+02 -0.372065D+01
      5  -0.782322D+01  0.948590D+01 -0.121315D+02  0.803083D+01 -0.207742D+02
      6   0.142671D+02 -0.135403D+02 -0.149246D-01 -0.150623D+02 -0.603690D+01
                51            52            53            54            55 
      1   0.600954D+00 -0.115423D+02 -0.134406D+01 -0.650553D+01  0.123675D+02
      2  -0.173691D+00  0.164382D+01  0.696333D-01 -0.736178D+01 -0.919055D+01
      3  -0.427263D+00  0.989851D+01  0.127442D+01  0.138673D+02 -0.317698D+01
      4  -0.128537D+02  0.743886D+01 -0.827914D+01  0.207636D+01  0.478663D+01
      5   0.478680D+01 -0.125804D+02  0.239980D+01  0.130122D+02 -0.780888D+00
      6  -0.138658D+02  0.135032D+01 -0.964540D+01  0.343941D+01  0.457784D+01
                56            57            58            59            60 
      1  -0.109174D+02  0.225429D+01 -0.789316D+01 -0.467908D+01 -0.219589D+01
      2   0.173989D+02 -0.276101D+01  0.159036D+02  0.161291D+02  0.456945D+01
      3  -0.648152D+01  0.506716D+00 -0.801048D+01 -0.114500D+02 -0.237356D+01
      4  -0.157520D+01  0.302750D+01  0.900335D+01  0.203036D+02 -0.336209D+01
      5   0.262612D+01  0.149072D+01  0.844448D+00 -0.372900D+01  0.155719D+01
      6  -0.703649D+01  0.122962D+02 -0.648961D+01  0.542619D+01 -0.313120D+01
                61            62            63            64            65 
      1   0.481642D+01 -0.310547D+00  0.522472D+01  0.374639D+02 -0.106167D+02
      2  -0.410030D+01  0.366246D+01 -0.110071D+02 -0.204445D+02  0.324698D+01
      3  -0.716114D+00 -0.335191D+01  0.578238D+01 -0.170194D+02  0.736970D+01
      4   0.375191D+01 -0.196152D+01  0.107893D+02 -0.187192D+02  0.180154D+02
      5   0.426647D+01  0.394265D+01 -0.265749D+01 -0.172001D+02  0.731149D+01
      6   0.125004D+02 -0.738568D+01 -0.773330D+01  0.262742D+01 -0.232341D+01
                66            67            68            69            70 
      1  -0.924669D+01 -0.160236D+02  0.186568D+01  0.171426D+01 -0.145021D+02
      2   0.100464D+02  0.688519D+01  0.540628D+01 -0.323079D+01  0.100412D+02
      3  -0.799664D+00  0.913841D+01 -0.727196D+01  0.151653D+01  0.446094D+01
      4   0.760756D+01  0.175483D+02 -0.168770D+02 -0.815305D+01  0.665262D+01
      5   0.186768D+02  0.812003D+01 -0.827929D+01 -0.695794D+01  0.213030D+02
      6  -0.277965D+01 -0.364932D+01  0.326598D+01  0.761275D+01 -0.249678D+01
                71            72            73            74            75 
      1   0.540714D+00  0.390143D+01  0.637442D+00  0.611754D+00  0.103875D+00
      2  -0.157801D+00 -0.146584D+02 -0.440243D+01  0.305140D+00 -0.277675D+00
      3  -0.382913D+00  0.107570D+02  0.376499D+01 -0.916894D+00  0.173800D+00
      4  -0.112969D+02 -0.991998D+01  0.209636D+00  0.177628D+01 -0.737561D+00
      5  -0.809388D+01 -0.276185D+02  0.215146D+00  0.220323D-01  0.636000D+01
      6   0.706239D+01  0.502047D+01 -0.571114D+00  0.655303D-01 -0.157666D+00
                76            77            78            79            80 
      1   0.120592D+01 -0.415614D+01 -0.133395D+01  0.747970D+00  0.602627D+00
      2   0.278502D+00  0.551255D+00 -0.171506D+01  0.226395D+00 -0.245483D+01
      3  -0.148442D+01  0.360489D+01  0.304901D+01 -0.974366D+00  0.185220D+01
      4   0.247915D+01 -0.325219D+00  0.142185D+00 -0.701945D+00  0.742054D-02
      5  -0.208892D-01 -0.174191D+00 -0.330507D+00  0.510104D+01  0.170375D+00
      6   0.246596D+00  0.411230D+00  0.673997D+01  0.114827D+00  0.465023D+01
                81            82            83            84            85 
      1  -0.208191D+02 -0.322615D+00 -0.324896D+01 -0.210688D+01 -0.582181D+01
      2  -0.171864D+02  0.436461D+01  0.460008D+01  0.192934D+01  0.641011D+01
      3   0.380054D+02 -0.404200D+01 -0.135112D+01  0.177536D+00 -0.588296D+00
      4   0.477525D+00  0.101771D+01  0.433197D+01  0.808195D+00  0.249077D+01
      5   0.123475D+01 -0.145716D+01  0.554504D+00  0.127919D+01  0.105203D+01
      6  -0.346819D+01  0.130163D+01  0.114256D+01  0.670870D+00  0.729121D+00
                86            87            88            89            90 
      1  -0.202351D+02 -0.140135D+01 -0.337991D+01 -0.252311D+01 -0.435952D+01
      2   0.331948D+02  0.432080D+01  0.208968D+01  0.295179D+01  0.282004D+01
      3  -0.129597D+02 -0.291946D+01  0.129022D+01 -0.428687D+00  0.153949D+01
      4  -0.963174D+01 -0.175284D+01  0.259521D+00 -0.156408D+01 -0.909708D+00
      5  -0.186397D+01 -0.313031D+01  0.254483D+01 -0.142887D+01  0.783406D+00
      6   0.564261D+01  0.541982D+01  0.154579D+01  0.776774D+01  0.293156D+01
                91            92            93            94            95 
      1   0.440967D+02  0.203495D+02 -0.253582D+01  0.761182D+01  0.640811D+01
      2  -0.161025D+02 -0.494492D+01  0.153226D+00  0.101552D+01  0.273992D+01
      3  -0.279941D+02 -0.154046D+02  0.238259D+01 -0.862735D+01 -0.914803D+01
      4   0.354345D+02  0.250602D+02 -0.117360D+01  0.163322D+02  0.163391D+02
      5   0.266714D+01  0.194838D+01  0.563776D+01  0.665054D+00  0.108612D+01
      6  -0.734819D+00  0.647946D+00  0.282173D+01  0.608764D+00  0.590003D+00
                96            97            98            99           100 
      1  -0.513191D+00 -0.118062D+02 -0.592932D+01  0.370115D+01 -0.232080D+01
      2  -0.302288D+00  0.370213D+01  0.453978D+00 -0.157787D+01  0.551189D+01
      3   0.815479D+00  0.810406D+01  0.547534D+01 -0.212328D+01 -0.319109D+01
      4  -0.632861D+00 -0.115669D+02 -0.869477D+01  0.521756D+01 -0.587356D+01
      5   0.213565D+01  0.672211D+01  0.382829D+01 -0.208454D+01  0.291596D+01
      6   0.208939D+01  0.400633D+01  0.327841D+01 -0.168823D+01 -0.627779D+01
               101           102           103           104           105 
      1   0.846512D+01 -0.397256D+01  0.642048D+01 -0.164199D+02  0.693413D+01
      2  -0.131790D+02  0.495091D+01 -0.106940D+02  0.256874D+02 -0.945526D+01
      3   0.471391D+01 -0.978348D+00  0.427354D+01 -0.926745D+01  0.252113D+01
      4   0.110895D+02 -0.531694D+01  0.972750D+01 -0.119696D+02  0.545244D+01
      5  -0.350195D+01  0.418069D+01 -0.226993D+01  0.385161D+01 -0.220511D+01
      6   0.973754D+01 -0.809089D+01  0.783654D+01 -0.154558D+02  0.109983D+02
               106           107           108           109           110 
      1  -0.528647D+01  0.106263D+02 -0.915120D+01 -0.111993D+01  0.279591D+01
      2   0.596715D+01 -0.119963D+02  0.706994D+01  0.164673D+01 -0.439084D+01
      3  -0.680676D+00  0.137001D+01  0.208126D+01 -0.526801D+00  0.159493D+01
      4  -0.653015D+01  0.764943D+01 -0.644674D+01  0.249439D-02  0.336277D+01
      5   0.388394D+01 -0.361803D+01  0.357398D+01 -0.137563D+01 -0.425797D+00
      6  -0.848989D+01  0.157192D+02 -0.133200D+02  0.710769D+00 -0.217391D+01
               111           112           113           114           115 
      1   0.133607D+01  0.112747D+01 -0.571760D+01 -0.317424D+01  0.562906D+00
      2  -0.208752D+01 -0.190479D+01  0.852707D+01  0.462176D+01 -0.169239D+01
      3   0.751448D+00  0.777318D+00 -0.280947D+01 -0.144752D+01  0.112948D+01
      4   0.583459D+00  0.365218D+01 -0.262165D+01 -0.204826D+01  0.386052D+01
      5   0.149829D+01 -0.100292D+00 -0.669538D+00 -0.223880D+00  0.325075D+00
      6  -0.430417D+01 -0.225796D+01  0.471245D+01  0.798556D+01 -0.431106D+01
               116           117           118           119           120 
      1  -0.832194D+01 -0.744188D+01  0.344346D+01  0.287549D+01  0.191811D+01
      2   0.107060D+02  0.524178D+01 -0.366886D+01 -0.230212D+01 -0.332416D+01
      3  -0.238407D+01  0.220010D+01  0.225397D+00 -0.573372D+00  0.140604D+01
      4  -0.313372D+01 -0.411465D+01  0.485848D+01  0.824071D+01  0.184378D+01
      5  -0.100993D+01 -0.425150D+00  0.704416D+01  0.470962D+01  0.816737D+01
      6   0.864199D+01  0.187997D+02  0.273194D+01  0.673975D+01  0.238976D+01
               121           122           123           124           125 
      1   0.432393D+01 -0.182651D+01 -0.401335D+01  0.483916D+00 -0.245227D+01
      2  -0.384141D+01  0.719396D+00 -0.525328D+01 -0.169932D+01 -0.233272D+01
      3  -0.482515D+00  0.110711D+01  0.926663D+01  0.121540D+01  0.478498D+01
      4   0.809855D+01  0.155559D+02  0.752054D+01  0.886698D+00  0.429302D+01
      5   0.809869D+01  0.117459D+02  0.100965D+02  0.558880D+01  0.499120D+01
      6   0.717274D+01  0.190003D+02  0.106113D+02  0.232917D+01  0.925889D+01
               126           127           128           129           130 
      1  -0.299395D+01 -0.100261D+02 -0.399908D+01  0.143875D+02 -0.282431D+01
      2  -0.244750D+01 -0.851311D+00  0.137695D+01  0.360440D+01  0.154088D+01
      3   0.544145D+01  0.108774D+02  0.262213D+01 -0.179919D+02  0.128343D+01
      4   0.378391D+01  0.438624D+01  0.269315D+01 -0.336675D+01  0.390587D+01
      5   0.498752D+01 -0.125107D+02 -0.287048D+01  0.597512D+01 -0.284416D+01
      6   0.520168D+01 -0.584991D+01 -0.461837D+01  0.602070D+01 -0.264296D+01
               131           132           133           134           135 
      1  -0.335771D+01  0.304220D+01  0.100815D+02  0.277346D+01 -0.130788D+02
      2   0.815969D+00 -0.567750D+00  0.231488D+01 -0.249946D+00 -0.564190D+01
      3   0.254174D+01 -0.247445D+01 -0.123964D+02 -0.252352D+01  0.187207D+02
      4   0.137152D+01  0.723219D+00 -0.222586D+01  0.307662D+00  0.178102D+01
      5   0.653201D+00  0.125387D+00  0.888611D+01  0.767233D+00 -0.515412D+01
      6  -0.265888D+01  0.659789D+01  0.334974D+01  0.570843D+01 -0.522994D+01
               136           137           138           139           140 
      1   0.115896D+02 -0.429317D+01  0.286823D+01 -0.513205D+01 -0.154322D+01
      2  -0.893221D+01  0.161693D+01 -0.687236D+01  0.171807D+01  0.404738D+01
      3  -0.265737D+01  0.267624D+01  0.400413D+01  0.341398D+01 -0.250416D+01
      4  -0.144653D+02  0.135880D+02 -0.861314D+01  0.148033D+02 -0.151924D+02
      5   0.203643D+02 -0.119447D+02  0.177529D+02 -0.136876D+02  0.138556D+02
      6  -0.111527D+02  0.114047D+02 -0.887061D+01  0.114557D+02 -0.152269D+02
               141           142           143           144           145 
      1   0.319666D+01  0.193849D+01  0.229888D+01 -0.246915D+01  0.102412D+01
      2   0.215881D+01 -0.515439D+01  0.191173D+01 -0.581856D+01 -0.260211D+01
      3  -0.535547D+01  0.321589D+01 -0.421061D+01  0.828771D+01  0.157800D+01
      4   0.100121D+02 -0.554904D+01  0.622691D+01 -0.757501D+01 -0.175687D+01
      5  -0.126846D+02  0.133308D+02 -0.868170D+01  0.129931D+02 -0.264546D+01
      6   0.138365D+02 -0.681195D+01  0.101245D+02 -0.101370D+02  0.131475D+01
               146           147           148           149           150 
      1  -0.211631D+01 -0.467279D+01 -0.323599D+01 -0.541932D-01 -0.326993D+01
      2   0.918165D+00  0.231341D+01  0.137315D+01 -0.686838D+00 -0.258097D-01
      3   0.119814D+01  0.235939D+01  0.186283D+01  0.741031D+00  0.329574D+01
      4   0.281638D+01  0.567743D+00  0.569433D+01 -0.184344D+01 -0.524617D+01
      5   0.571908D+00  0.553523D+01  0.198495D+01 -0.487142D+01 -0.636375D+01
      6   0.182852D+00  0.674554D+00 -0.168927D+01  0.346083D+01  0.844993D+01
               151           152           153           154           155 
      1  -0.706879D+01 -0.297566D+01 -0.151248D+02  0.122885D+02  0.818461D+01
      2   0.749432D+01 -0.344800D+00 -0.188359D+02 -0.326500D+01 -0.319362D+01
      3  -0.425534D+00  0.332046D+01  0.339607D+02 -0.902346D+01 -0.499099D+01
      4   0.205771D+01 -0.639050D+01 -0.667609D+01  0.832339D+01  0.143811D+02
      5   0.147629D+02 -0.606945D+01 -0.455384D+02 -0.434031D-01 -0.165388D+01
      6  -0.273852D+01  0.826982D+01  0.130431D+02 -0.174155D+01 -0.270368D+01
               156           157           158           159           160 
      1   0.167747D+01  0.179424D+02  0.111152D+02 -0.104523D+01  0.575340D+01
      2  -0.446577D+00 -0.768670D+01  0.142141D+01  0.169788D+01 -0.203748D+01
      3  -0.123089D+01 -0.102557D+02 -0.125366D+02 -0.652644D+00 -0.371593D+01
      4  -0.497543D+00  0.176474D+02  0.317470D+02  0.161525D+00  0.336115D+00
      5   0.242436D+01 -0.446897D+01 -0.173800D+00  0.757637D+01  0.365951D+01
      6   0.562025D+00 -0.245142D+01 -0.734722D+01  0.210268D+01  0.117889D+01
               161           162           163           164           165 
      1   0.377912D+00 -0.317078D+00  0.476591D+02 -0.175199D+02  0.743366D+01
      2   0.201993D+00 -0.155824D+01 -0.182789D+02  0.425172D+01 -0.229870D+01
      3  -0.579906D+00  0.187531D+01 -0.293801D+02  0.132682D+02 -0.513496D+01
      4   0.281165D+01  0.314308D+01 -0.262319D+02  0.201665D+02 -0.397789D+01
      5   0.375698D+01 -0.252025D+01  0.319168D+01 -0.158668D+01  0.778071D+01
      6   0.281067D+01  0.879827D+00  0.107826D+01 -0.191282D+01 -0.135547D+01
               166           167           168           169           170 
      1  -0.250262D+02  0.139546D+02 -0.273491D+01  0.175703D+02 -0.534420D+01
      2   0.668427D+01  0.117026D+01 -0.100535D+01 -0.674639D+01  0.244904D+00
      3   0.183419D+02 -0.151249D+02  0.374026D+01 -0.108239D+02  0.509929D+01
      4   0.261122D+02 -0.202977D+02  0.416081D+01 -0.974808D+01  0.802563D+01
      5  -0.680834D+00  0.221867D+01 -0.778458D+01  0.841455D+01 -0.561472D+01
      6  -0.159653D+01  0.433737D+00  0.302157D+01 -0.199084D+01  0.215742D+01
               171 
      1   0.412507D+01
      2  -0.314632D+01
      3  -0.978748D+00
      4  -0.628947D+01
      5   0.371171D+01
      6  -0.100583D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.524544D+00      0.133326D+01      0.444727D+01
   x         -0.109423D+00     -0.278125D+00     -0.927727D+00
   y         -0.400662D+00     -0.101838D+01     -0.339695D+01
   z         -0.320379D+00     -0.814323D+00     -0.271629D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.746455D+02      0.110613D+02      0.123074D+02
   aniso      0.120987D+02      0.179284D+01      0.199481D+01
   xx         0.817942D+02      0.121206D+02      0.134860D+02
   yx         0.244032D-01      0.361618D-02      0.402354D-02
   yy         0.723062D+02      0.107147D+02      0.119217D+02
   zx        -0.239604D+01     -0.355056D+00     -0.395053D+00
   zy         0.178837D+01      0.265008D+00      0.294862D+00
   zz         0.698362D+02      0.103487D+02      0.115144D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.818618D+02      0.121307D+02      0.134972D+02
   aniso      0.146543D+02      0.217154D+01      0.241617D+01
   xx         0.905764D+02      0.134220D+02      0.149340D+02
   yx         0.818703D+00      0.121319D+00      0.134986D+00
   yy         0.791281D+02      0.117256D+02      0.130465D+02
   zx        -0.279892D+01     -0.414758D+00     -0.461480D+00
   zy         0.186671D+01      0.276618D+00      0.307779D+00
   zz         0.758809D+02      0.112444D+02      0.125111D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          4.75026756         -0.15711797          0.31957025
     6          2.06418631          0.89413164          0.39051010
     6          0.11826952         -1.28759041          0.16235884
     6         -2.51772105         -0.30220051          0.77124117
     8         -2.79069695          0.24622394          3.25369674
     6          1.67001352          2.90368611         -1.64793261
     7          0.25115471         -2.51757682         -2.28856770
     8         -4.19161699          0.00838864         -0.73831367
     1          0.59189640         -2.67339358          1.61746430
     1          1.75053970          1.76689693          2.23637957
     1         -4.48525778          0.90975516          3.47799657
     1         -0.59378164         -4.23279565         -2.21981709
     1         -0.72782771         -1.49413257         -3.57957482
     1          2.03779575          2.12856072         -3.52402665
     1         -0.24790244          3.66383769         -1.63142045
     1          2.97318834          4.47510241         -1.35961371
     1          5.07458207         -1.48308483          1.86776534
     1          5.08910123         -1.14870337         -1.45391453
     1          6.12800392          1.36863401          0.49120195

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.524544D+00      0.133326D+01      0.444727D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.524544D+00      0.133326D+01      0.444727D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.746455D+02      0.110613D+02      0.123074D+02
   aniso      0.120987D+02      0.179284D+01      0.199481D+01
   xx         0.822227D+02      0.121842D+02      0.135567D+02
   yx        -0.337069D+00     -0.499485D-01     -0.555752D-01
   yy         0.688503D+02      0.102026D+02      0.113519D+02
   zx        -0.545479D+00     -0.808316D-01     -0.899373D-01
   zy         0.113777D+01      0.168600D+00      0.187592D+00
   zz         0.728635D+02      0.107973D+02      0.120136D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.818618D+02      0.121307D+02      0.134972D+02
   aniso      0.146543D+02      0.217154D+01      0.241617D+01
   xx         0.908805D+02      0.134671D+02      0.149842D+02
   yx        -0.811853D+00     -0.120304D+00     -0.133856D+00
   yy         0.750006D+02      0.111139D+02      0.123659D+02
   zx        -0.137719D+01     -0.204078D+00     -0.227068D+00
   zy         0.157891D+01      0.233970D+00      0.260327D+00
   zz         0.797044D+02      0.118110D+02      0.131415D+02

 ----------------------------------------------------------------------
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 ...THE PHYSICISTS HAVE MADE THEIR UNIVERSE, AND IF YOU DO NOT LIKE
 IT, YOU MUST MAKE YOUR OWN.
                               -- E. R. HARRISON IN "COSMOLOGY" (1980)
 Job cpu time:       0 days  3 hours 45 minutes 34.0 seconds.
 Elapsed time:       0 days  0 hours 28 minutes 13.3 seconds.
 File lengths (MBytes):  RWF=    240 Int=      0 D2E=      0 Chk=      8 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 20:07:56 2021.
